N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-(2-methylcyclohexyl)acetamide

C17H25N3O2 — CID 136560286

IUPACN-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1CC(=O)NCc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C17H25N3O2/c1-11-4-2-3-5-13(11)8-15(21)18-10-14-9-16(22)20-17(19-14)12-6-7-12/h9,11-13H,2-8,10H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyVDBHYLNJIMABNR-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.48
Rot. Bonds5

About N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-(2-methylcyclohexyl)acetamide

N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-(2-methylcyclohexyl)acetamide (PubChem CID 136560286) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-(2-methylcyclohexyl)acetamide
PubChem CID136560286
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1CC(=O)NCc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C17H25N3O2/c1-11-4-2-3-5-13(11)8-15(21)18-10-14-9-16(22)20-17(19-14)12-6-7-12/h9,11-13H,2-8,10H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyVDBHYLNJIMABNR-UHFFFAOYSA-N
XLogP2.48
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 135524389
2-cyclopropyl-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976032
2-cyclopropyl-4-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-pyrimidin-6-one
CID 138032932
tert-butyl N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]carbamate
CID 136977515
methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 137007673
methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007497
2-cyclopropyl-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 138005065
cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 136891751
4-(cyclooctylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973649
4-[[(2-methylcyclohexyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103243495
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 136976806
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetic acid
CID 136958564

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-(2-methylcyclohexyl)acetamide?
The IUPAC name of N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-(2-methylcyclohexyl)acetamide (CID 136560286) is N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-(2-methylcyclohexyl)acetamide?
The canonical SMILES for N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-(2-methylcyclohexyl)acetamide is CC1CCCCC1CC(=O)NCc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-(2-methylcyclohexyl)acetamide?
The InChIKey is VDBHYLNJIMABNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-11-4-2-3-5-13(11)8-15(21)18-10-14-9-16(22)20-17(19-14)12-6-7-12/h9,11-13H,2-8,10H2,1H3,(H,18,21)(H,19,20,22).
What are the key properties of N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-(2-methylcyclohexyl)acetamide?
N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-(2-methylcyclohexyl)acetamide has a molecular weight of 303.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 136560286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).