2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-(1-phenylethyl)cyclopropane-1-carboxamide

C21H30N4O2 — CID 164864896

IUPAC2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-(1-phenylethyl)cyclopropane-1-carboxamide
SMILESCCC1(CC)CC(=O)N(CC2CC2C(=O)NC(C)c2ccccc2)C(N)=N1
InChIInChI=1S/C21H30N4O2/c1-4-21(5-2)12-18(26)25(20(22)24-21)13-16-11-17(16)19(27)23-14(3)15-9-7-6-8-10-15/h6-10,14,16-17H,4-5,11-13H2,1-3H3,(H2,22,24)(H,23,27)
InChIKeyOINCSGFFQZKLJF-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.61
Rot. Bonds7

About 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-(1-phenylethyl)cyclopropane-1-carboxamide

2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-(1-phenylethyl)cyclopropane-1-carboxamide (PubChem CID 164864896) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-(1-phenylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-(1-phenylethyl)cyclopropane-1-carboxamide
PubChem CID164864896
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-(1-phenylethyl)cyclopropane-1-carboxamide
SMILESCCC1(CC)CC(=O)N(CC2CC2C(=O)NC(C)c2ccccc2)C(N)=N1
InChIInChI=1S/C21H30N4O2/c1-4-21(5-2)12-18(26)25(20(22)24-21)13-16-11-17(16)19(27)23-14(3)15-9-7-6-8-10-15/h6-10,14,16-17H,4-5,11-13H2,1-3H3,(H2,22,24)(H,23,27)
InChIKeyOINCSGFFQZKLJF-UHFFFAOYSA-N
XLogP2.61
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
cis-(1R,2R)-2-ethyl-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 134523880
cis-(1R,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide
CID 134523878
2-amino-N-[(1S)-1-phenylethyl]cyclopentane-1-carboxamide
CID 64851455
2-amino-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide
CID 79001242
acetylene;2-amino-6,6-diethyl-3-[[(1S)-2-methylcyclopropyl]methyl]-5H-pyrimidin-4-one;N-[(1R)-2-hydroxy-2-methyl-1,3-dihydroinden-1-yl]formamide
CID 156742926
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
2-(aminomethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide
CID 79025906
5-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-4-methylpentanamide
CID 164864926
2-N-butyl-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109131234
1-N-tert-butyl-2-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109135625
2-N-[1-(4-phenylphenyl)ethyl]cyclobutane-1,2-dicarboxamide
CID 167814895

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-(1-phenylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-(1-phenylethyl)cyclopropane-1-carboxamide (CID 164864896) is 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-(1-phenylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-(1-phenylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-(1-phenylethyl)cyclopropane-1-carboxamide is CCC1(CC)CC(=O)N(CC2CC2C(=O)NC(C)c2ccccc2)C(N)=N1.
What is the InChIKey of 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-(1-phenylethyl)cyclopropane-1-carboxamide?
The InChIKey is OINCSGFFQZKLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-4-21(5-2)12-18(26)25(20(22)24-21)13-16-11-17(16)19(27)23-14(3)15-9-7-6-8-10-15/h6-10,14,16-17H,4-5,11-13H2,1-3H3,(H2,22,24)(H,23,27).
What are the key properties of 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-(1-phenylethyl)cyclopropane-1-carboxamide?
2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-(1-phenylethyl)cyclopropane-1-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-(1-phenylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 164864896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).