2-methyl-6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide

C16H25N3O2 — CID 18682011

IUPAC2-methyl-6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2CC(C)(C)CC(C)(C)C2)c(=O)[nH]1
InChIInChI=1S/C16H25N3O2/c1-10-17-8-12(13(20)18-10)14(21)19-11-6-15(2,3)9-16(4,5)7-11/h8,11H,6-7,9H2,1-5H3,(H,19,21)(H,17,18,20)
InChIKeyVVSJWMZUSVLNTP-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.41
Rot. Bonds2

About 2-methyl-6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide

2-methyl-6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide (PubChem CID 18682011) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-methyl-6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide
PubChem CID18682011
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-methyl-6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2CC(C)(C)CC(C)(C)C2)c(=O)[nH]1
InChIInChI=1S/C16H25N3O2/c1-10-17-8-12(13(20)18-10)14(21)19-11-6-15(2,3)9-16(4,5)7-11/h8,11H,6-7,9H2,1-5H3,(H,19,21)(H,17,18,20)
InChIKeyVVSJWMZUSVLNTP-UHFFFAOYSA-N
XLogP2.41
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide (CID 18682011) is 2-methyl-6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NC2CC(C)(C)CC(C)(C)C2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is VVSJWMZUSVLNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-10-17-8-12(13(20)18-10)14(21)19-11-6-15(2,3)9-16(4,5)7-11/h8,11H,6-7,9H2,1-5H3,(H,19,21)(H,17,18,20).
What are the key properties of 2-methyl-6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide?
2-methyl-6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 18682011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).