cis-(1S,2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-5-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]cyclopropane-1-carboxamide

C22H30N4O4 — CID 171442105

IUPACcis-(1S,2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-5-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]cyclopropane-1-carboxamide
SMILESCOc1cccc2c1[C@@H](NC(=O)[C@H]1C[C@@H]1CN1C(=O)CC(C)(C)N=C1N)CC(C)O2
InChIInChI=1S/C22H30N4O4/c1-12-8-15(19-16(29-4)6-5-7-17(19)30-12)24-20(28)14-9-13(14)11-26-18(27)10-22(2,3)25-21(26)23/h5-7,12-15H,8-11H2,1-4H3,(H2,23,25)(H,24,28)/t12?,13-,14+,15+/m1/s1
InChIKeySOIHWUKKFSRRRJ-LQFPDLAYSA-N
MW414.51 g/mol
LogP1.99
Rot. Bonds5

About cis-(1S,2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-5-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]cyclopropane-1-carboxamide

cis-(1S,2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-5-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]cyclopropane-1-carboxamide (PubChem CID 171442105) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is cis-(1S,2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-5-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-5-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]cyclopropane-1-carboxamide
PubChem CID171442105
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Namecis-(1S,2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-5-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]cyclopropane-1-carboxamide
SMILESCOc1cccc2c1[C@@H](NC(=O)[C@H]1C[C@@H]1CN1C(=O)CC(C)(C)N=C1N)CC(C)O2
InChIInChI=1S/C22H30N4O4/c1-12-8-15(19-16(29-4)6-5-7-17(19)30-12)24-20(28)14-9-13(14)11-26-18(27)10-22(2,3)25-21(26)23/h5-7,12-15H,8-11H2,1-4H3,(H2,23,25)(H,24,28)/t12?,13-,14+,15+/m1/s1
InChIKeySOIHWUKKFSRRRJ-LQFPDLAYSA-N
XLogP1.99
TPSA106.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze cis-(1S,2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-5-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-5-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide
CID 171442162
cis-(1S,2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-2-cyclopropyl-3,4-dihydro-2H-chromen-4-yl]cyclopropane-1-carboxamide
CID 171442151
cis-(1S,2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide
CID 171442055
acetylene;(2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide;pyridine
CID 164865014
cis-(1S,2S)-2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide
CID 171442024
acetylene;(2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-5-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide;ethane;pyridine
CID 164865108
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
2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[2-[2-[[4-[[2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]cyclopropanecarbonyl]amino]-2,2-dimethyl-3,4-dihydrochromen-5-yl]oxy]ethyl]-6,8-dichloro-2-methyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide
CID 164864697
acetylene;(2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-1-(2-fluorophenyl)-3-methoxy-3-methylbutyl]cyclopropane-1-carboxamide;ethane;pyridine
CID 164865025
(2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-methylcyclopropane-1-carboxamide
CID 164864952
(2S)-2-[(1R)-1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-5-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide
CID 164865090
(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

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-5-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-5-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]cyclopropane-1-carboxamide (CID 171442105) is cis-(1S,2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-5-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-5-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-5-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]cyclopropane-1-carboxamide is COc1cccc2c1[C@@H](NC(=O)[C@H]1C[C@@H]1CN1C(=O)CC(C)(C)N=C1N)CC(C)O2.
What is the InChIKey of cis-(1S,2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-5-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]cyclopropane-1-carboxamide?
The InChIKey is SOIHWUKKFSRRRJ-LQFPDLAYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-12-8-15(19-16(29-4)6-5-7-17(19)30-12)24-20(28)14-9-13(14)11-26-18(27)10-22(2,3)25-21(26)23/h5-7,12-15H,8-11H2,1-4H3,(H2,23,25)(H,24,28)/t12?,13-,14+,15+/m1/s1.
What are the key properties of cis-(1S,2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-5-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]cyclopropane-1-carboxamide?
cis-(1S,2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-5-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]cyclopropane-1-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-5-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 171442105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).