2-amino-3-[(R)-(2,2-dimethylcyclopropyl)-pyridin-3-ylmethyl]-6,6-diethyl-5H-pyrimidin-4-one

C19H28N4O — CID 156742907

IUPAC2-amino-3-[(R)-(2,2-dimethylcyclopropyl)-pyridin-3-ylmethyl]-6,6-diethyl-5H-pyrimidin-4-one
SMILESCCC1(CC)CC(=O)N(C(c2cccnc2)C2CC2(C)C)C(N)=N1
InChIInChI=1S/C19H28N4O/c1-5-19(6-2)11-15(24)23(17(20)22-19)16(14-10-18(14,3)4)13-8-7-9-21-12-13/h7-9,12,14,16H,5-6,10-11H2,1-4H3,(H2,20,22)
InChIKeyOCQMGYOROVWFLE-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.27
Rot. Bonds5

About 2-amino-3-[(R)-(2,2-dimethylcyclopropyl)-pyridin-3-ylmethyl]-6,6-diethyl-5H-pyrimidin-4-one

2-amino-3-[(R)-(2,2-dimethylcyclopropyl)-pyridin-3-ylmethyl]-6,6-diethyl-5H-pyrimidin-4-one (PubChem CID 156742907) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-amino-3-[(R)-(2,2-dimethylcyclopropyl)-pyridin-3-ylmethyl]-6,6-diethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-[(R)-(2,2-dimethylcyclopropyl)-pyridin-3-ylmethyl]-6,6-diethyl-5H-pyrimidin-4-one
PubChem CID156742907
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name2-amino-3-[(R)-(2,2-dimethylcyclopropyl)-pyridin-3-ylmethyl]-6,6-diethyl-5H-pyrimidin-4-one
SMILESCCC1(CC)CC(=O)N(C(c2cccnc2)C2CC2(C)C)C(N)=N1
InChIInChI=1S/C19H28N4O/c1-5-19(6-2)11-15(24)23(17(20)22-19)16(14-10-18(14,3)4)13-8-7-9-21-12-13/h7-9,12,14,16H,5-6,10-11H2,1-4H3,(H2,20,22)
InChIKeyOCQMGYOROVWFLE-UHFFFAOYSA-N
XLogP3.27
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(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
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-(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
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)-pyridin-3-ylmethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)cyclopropane-1-carboxamide
CID 164865057
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
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
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
cis-(1R,2R)-2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide
CID 166591182
2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 164864896
3-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)butyl]-N-[(1R)-2-hydroxy-2-methyl-1,3,3a,7a-tetrahydroinden-1-yl]benzamide
CID 166705923

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(R)-(2,2-dimethylcyclopropyl)-pyridin-3-ylmethyl]-6,6-diethyl-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-3-[(R)-(2,2-dimethylcyclopropyl)-pyridin-3-ylmethyl]-6,6-diethyl-5H-pyrimidin-4-one (CID 156742907) is 2-amino-3-[(R)-(2,2-dimethylcyclopropyl)-pyridin-3-ylmethyl]-6,6-diethyl-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-3-[(R)-(2,2-dimethylcyclopropyl)-pyridin-3-ylmethyl]-6,6-diethyl-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-3-[(R)-(2,2-dimethylcyclopropyl)-pyridin-3-ylmethyl]-6,6-diethyl-5H-pyrimidin-4-one is CCC1(CC)CC(=O)N(C(c2cccnc2)C2CC2(C)C)C(N)=N1.
What is the InChIKey of 2-amino-3-[(R)-(2,2-dimethylcyclopropyl)-pyridin-3-ylmethyl]-6,6-diethyl-5H-pyrimidin-4-one?
The InChIKey is OCQMGYOROVWFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-5-19(6-2)11-15(24)23(17(20)22-19)16(14-10-18(14,3)4)13-8-7-9-21-12-13/h7-9,12,14,16H,5-6,10-11H2,1-4H3,(H2,20,22).
What are the key properties of 2-amino-3-[(R)-(2,2-dimethylcyclopropyl)-pyridin-3-ylmethyl]-6,6-diethyl-5H-pyrimidin-4-one?
2-amino-3-[(R)-(2,2-dimethylcyclopropyl)-pyridin-3-ylmethyl]-6,6-diethyl-5H-pyrimidin-4-one has a molecular weight of 328.46 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(R)-(2,2-dimethylcyclopropyl)-pyridin-3-ylmethyl]-6,6-diethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 156742907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).