N-(3-ethylpentan-3-yl)-2,6-dimethylpyrimidine-4-carboxamide

C14H23N3O — CID 131927139

IUPACN-(3-ethylpentan-3-yl)-2,6-dimethylpyrimidine-4-carboxamide
SMILESCCC(CC)(CC)NC(=O)c1cc(C)nc(C)n1
InChIInChI=1S/C14H23N3O/c1-6-14(7-2,8-3)17-13(18)12-9-10(4)15-11(5)16-12/h9H,6-8H2,1-5H3,(H,17,18)
InChIKeyMZRKICVOHCUSSY-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.79
Rot. Bonds5

About N-(3-ethylpentan-3-yl)-2,6-dimethylpyrimidine-4-carboxamide

N-(3-ethylpentan-3-yl)-2,6-dimethylpyrimidine-4-carboxamide (PubChem CID 131927139) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)-2,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)-2,6-dimethylpyrimidine-4-carboxamide
PubChem CID131927139
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(3-ethylpentan-3-yl)-2,6-dimethylpyrimidine-4-carboxamide
SMILESCCC(CC)(CC)NC(=O)c1cc(C)nc(C)n1
InChIInChI=1S/C14H23N3O/c1-6-14(7-2,8-3)17-13(18)12-9-10(4)15-11(5)16-12/h9H,6-8H2,1-5H3,(H,17,18)
InChIKeyMZRKICVOHCUSSY-UHFFFAOYSA-N
XLogP2.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)-2,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-ethylpentan-3-yl)-2,6-dimethylpyrimidine-4-carboxamide (CID 131927139) is N-(3-ethylpentan-3-yl)-2,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-ethylpentan-3-yl)-2,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-ethylpentan-3-yl)-2,6-dimethylpyrimidine-4-carboxamide is CCC(CC)(CC)NC(=O)c1cc(C)nc(C)n1.
What is the InChIKey of N-(3-ethylpentan-3-yl)-2,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is MZRKICVOHCUSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-6-14(7-2,8-3)17-13(18)12-9-10(4)15-11(5)16-12/h9H,6-8H2,1-5H3,(H,17,18).
What are the key properties of N-(3-ethylpentan-3-yl)-2,6-dimethylpyrimidine-4-carboxamide?
N-(3-ethylpentan-3-yl)-2,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)-2,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 131927139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).