2-[(1R)-1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2,6,7-tetramethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide

C27H40N4O4 — CID 164865013

IUPAC2-[(1R)-1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2,6,7-tetramethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide
SMILESCOCC[C@H](C1CC1C(=O)N[C@H]1CC(C)(C)Oc2cc(C)c(C)cc21)N1C(=O)CC(C)(C)N=C1N
InChIInChI=1S/C27H40N4O4/c1-15-10-19-20(13-27(5,6)35-22(19)11-16(15)2)29-24(33)18-12-17(18)21(8-9-34-7)31-23(32)14-26(3,4)30-25(31)28/h10-11,17-18,20-21H,8-9,12-14H2,1-7H3,(H2,28,30)(H,29,33)/t17?,18?,20-,21+/m0/s1
InChIKeyQILMDZSWSCDDNU-RRIIRSAJSA-N
MW484.64 g/mol
LogP3.39
Rot. Bonds7

About 2-[(1R)-1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2,6,7-tetramethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide

2-[(1R)-1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2,6,7-tetramethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide (PubChem CID 164865013) has the molecular formula C27H40N4O4 and a molecular weight of 484.64 g/mol. Its IUPAC name is 2-[(1R)-1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2,6,7-tetramethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-[(1R)-1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2,6,7-tetramethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide
PubChem CID164865013
Molecular FormulaC27H40N4O4
Molecular Weight484.64 g/mol
Exact Mass484.30
IUPAC Name2-[(1R)-1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2,6,7-tetramethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide
SMILESCOCC[C@H](C1CC1C(=O)N[C@H]1CC(C)(C)Oc2cc(C)c(C)cc21)N1C(=O)CC(C)(C)N=C1N
InChIInChI=1S/C27H40N4O4/c1-15-10-19-20(13-27(5,6)35-22(19)11-16(15)2)29-24(33)18-12-17(18)21(8-9-34-7)31-23(32)14-26(3,4)30-25(31)28/h10-11,17-18,20-21H,8-9,12-14H2,1-7H3,(H2,28,30)(H,29,33)/t17?,18?,20-,21+/m0/s1
InChIKeyQILMDZSWSCDDNU-RRIIRSAJSA-N
XLogP3.39
TPSA106.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(1R)-1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2,6,7-tetramethyl-3,4-dihydrochromen-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

trans-(1S,2S)-2-[(1R)-1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[2,2-dimethyl-7-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide
CID 171442000
(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
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-[(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
(2S)-2-[(1R)-1-[(4S)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-3-methoxypropyl]-N-[(4S)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide
CID 164864867
(2S)-2-[1-[(4R)-2-amino-4-ethenyl-4-ethyl-6-oxo-5H-pyrimidin-1-yl]-3-methoxypropyl]-N-[(4S)-2-[2-[(4S)-4-[[2-[(1R)-1-[(4R)-2-amino-4-ethyl-4-ethynyl-6-oxo-5H-pyrimidin-1-yl]-3-methoxypropyl]cyclopropanecarbonyl]amino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]ethyl]-6-chloro-2-methyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide
CID 164864711
2-[1-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropane-1-carboxamide
CID 171442127
2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]-N-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)cyclopropane-1-carboxamide
CID 164865060
2-[(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)cyclopropane-1-carboxamide
CID 164865057
2-[(S)-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-(4-cyanophenyl)methyl]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide
CID 164864899
trans-(1S,2S)-2-[(S)-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-(3-cyanophenyl)methyl]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide
CID 171442060

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2,6,7-tetramethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-[(1R)-1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2,6,7-tetramethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide (CID 164865013) is 2-[(1R)-1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2,6,7-tetramethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-[(1R)-1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2,6,7-tetramethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-[(1R)-1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2,6,7-tetramethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide is COCC[C@H](C1CC1C(=O)N[C@H]1CC(C)(C)Oc2cc(C)c(C)cc21)N1C(=O)CC(C)(C)N=C1N.
What is the InChIKey of 2-[(1R)-1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2,6,7-tetramethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide?
The InChIKey is QILMDZSWSCDDNU-RRIIRSAJSA-N. The full InChI is InChI=1S/C27H40N4O4/c1-15-10-19-20(13-27(5,6)35-22(19)11-16(15)2)29-24(33)18-12-17(18)21(8-9-34-7)31-23(32)14-26(3,4)30-25(31)28/h10-11,17-18,20-21H,8-9,12-14H2,1-7H3,(H2,28,30)(H,29,33)/t17?,18?,20-,21+/m0/s1.
What are the key properties of 2-[(1R)-1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2,6,7-tetramethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide?
2-[(1R)-1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2,6,7-tetramethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide has a molecular weight of 484.64 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2,6,7-tetramethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 164865013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).