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

C27H33N5O3 — CID 164865057

IUPAC2-[(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
SMILESCC1(C)CC(=O)N(C(c2cccnc2)C2CC2C(=O)NC2CC(C)(C)Oc3ccccc32)C(N)=N1
InChIInChI=1S/C27H33N5O3/c1-26(2)14-22(33)32(25(28)31-26)23(16-8-7-11-29-15-16)18-12-19(18)24(34)30-20-13-27(3,4)35-21-10-6-5-9-17(20)21/h5-11,15,18-20,23H,12-14H2,1-4H3,(H2,28,31)(H,30,34)
InChIKeyGOLYGEDCPBXNDC-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.50
Rot. Bonds5

About 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

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 (PubChem CID 164865057) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID164865057
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC Name2-[(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
SMILESCC1(C)CC(=O)N(C(c2cccnc2)C2CC2C(=O)NC2CC(C)(C)Oc3ccccc32)C(N)=N1
InChIInChI=1S/C27H33N5O3/c1-26(2)14-22(33)32(25(28)31-26)23(16-8-7-11-29-15-16)18-12-19(18)24(34)30-20-13-27(3,4)35-21-10-6-5-9-17(20)21/h5-11,15,18-20,23H,12-14H2,1-4H3,(H2,28,31)(H,30,34)
InChIKeyGOLYGEDCPBXNDC-UHFFFAOYSA-N
XLogP3.50
TPSA109.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

trans-(1S,2S)-2-[(S)-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]-N-[(4S)-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide
CID 171442197
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-[(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
(2S)-2-[(S)-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]-N-[(4S)-6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide
CID 164865063
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
2-[(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-(5-fluoro-3-pyridinyl)methyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)cyclopropane-1-carboxamide
CID 171442209
trans-(1R,3R)-3-[(S)-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 171442142
trans-(1R,2R)-2-[(S)-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]-N-[(3R,4S)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide
CID 166591183
2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylcyclopropane-1-carboxamide
CID 171442037
trans-(1S,2S)-2-[(S)-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methylcyclopropane-1-carboxamide
CID 171442219
trans-(1S,2S)-2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]cyclopropane-1-carboxamide
CID 171442001
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CC(=O)N(C(c2cccnc2)C2CC2C(=O)NC2CC(C)(C)Oc3ccccc32)C(N)=N1.
What is the InChIKey of 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?
The InChIKey is GOLYGEDCPBXNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-26(2)14-22(33)32(25(28)31-26)23(16-8-7-11-29-15-16)18-12-19(18)24(34)30-20-13-27(3,4)35-21-10-6-5-9-17(20)21/h5-11,15,18-20,23H,12-14H2,1-4H3,(H2,28,31)(H,30,34).
What are the key properties of 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?
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 has a molecular weight of 475.59 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164865057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).