cis-(1R,2S)-2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-1-ethenyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide

C27H38N4O4 — CID 164864832

IUPACcis-(1R,2S)-2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-1-ethenyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide
SMILESC=C[C@]1(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C[C@@H]1[C@@H](CCOC)N1C(=O)CC(CC)(CC)N=C1N
InChIInChI=1S/C27H38N4O4/c1-5-26(6-2)16-22(33)31(25(28)30-26)20(12-13-35-4)19-15-27(19,7-3)24(34)29-23-18-11-9-8-10-17(18)14-21(23)32/h7-11,19-21,23,32H,3,5-6,12-16H2,1-2,4H3,(H2,28,30)(H,29,34)/t19-,20-,21+,23-,27+/m1/s1
InChIKeyIALAOWNMFGXMJA-XXXNKJRRSA-N
MW482.63 g/mol
LogP2.46
Rot. Bonds10

About cis-(1R,2S)-2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-1-ethenyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-1-ethenyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide (PubChem CID 164864832) has the molecular formula C27H38N4O4 and a molecular weight of 482.63 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-1-ethenyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-1-ethenyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide
PubChem CID164864832
Molecular FormulaC27H38N4O4
Molecular Weight482.63 g/mol
Exact Mass482.29
IUPAC Namecis-(1R,2S)-2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-1-ethenyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide
SMILESC=C[C@]1(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C[C@@H]1[C@@H](CCOC)N1C(=O)CC(CC)(CC)N=C1N
InChIInChI=1S/C27H38N4O4/c1-5-26(6-2)16-22(33)31(25(28)30-26)20(12-13-35-4)19-15-27(19,7-3)24(34)29-23-18-11-9-8-10-17(18)14-21(23)32/h7-11,19-21,23,32H,3,5-6,12-16H2,1-2,4H3,(H2,28,30)(H,29,34)/t19-,20-,21+,23-,27+/m1/s1
InChIKeyIALAOWNMFGXMJA-XXXNKJRRSA-N
XLogP2.46
TPSA117.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze cis-(1R,2S)-2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-1-ethenyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 166705673
(2S)-2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide
CID 164864792
trans-(1R,2R)-2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylcyclopropane-1-carboxamide
CID 171442177
5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]pyridine-3-carboxamide
CID 166705582
3-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-fluorobenzamide
CID 166707500
2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide
CID 164864762
(2S)-2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide
CID 164864837
3-[(1R)-1-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 166707524
2-[1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)cyclopropane-1-carboxamide
CID 171442038
5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(3S,4R)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)benzamide
CID 166705946
3-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)ethyl]-N-[(1R,2R)-2-hydroxy-2-methyl-1,3-dihydroinden-1-yl]benzamide
CID 170158652
4-[[3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-[3-fluoro-5-[(2-hydroxy-2-methyl-1,3-dihydroinden-1-yl)carbamoyl]phenyl]propoxy]methyl]-6-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 170264534

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-1-ethenyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-1-ethenyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide (CID 164864832) is cis-(1R,2S)-2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-1-ethenyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-1-ethenyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-1-ethenyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide is C=C[C@]1(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C[C@@H]1[C@@H](CCOC)N1C(=O)CC(CC)(CC)N=C1N.
What is the InChIKey of cis-(1R,2S)-2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-1-ethenyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide?
The InChIKey is IALAOWNMFGXMJA-XXXNKJRRSA-N. The full InChI is InChI=1S/C27H38N4O4/c1-5-26(6-2)16-22(33)31(25(28)30-26)20(12-13-35-4)19-15-27(19,7-3)24(34)29-23-18-11-9-8-10-17(18)14-21(23)32/h7-11,19-21,23,32H,3,5-6,12-16H2,1-2,4H3,(H2,28,30)(H,29,34)/t19-,20-,21+,23-,27+/m1/s1.
What are the key properties of cis-(1R,2S)-2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-1-ethenyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-1-ethenyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide has a molecular weight of 482.63 g/mol, XLogP of 2.46, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-1-ethenyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 164864832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).