N-(2-ethylpyrimidin-4-yl)-3,3-dimethyl-N-pentan-2-ylpentanamide

C18H31N3O — CID 71107648

IUPACN-(2-ethylpyrimidin-4-yl)-3,3-dimethyl-N-pentan-2-ylpentanamide
SMILESCCCC(C)N(C(=O)CC(C)(C)CC)c1ccnc(CC)n1
InChIInChI=1S/C18H31N3O/c1-7-10-14(4)21(17(22)13-18(5,6)9-3)16-11-12-19-15(8-2)20-16/h11-12,14H,7-10,13H2,1-6H3
InChIKeyOSEMHXWTRGILCM-UHFFFAOYSA-N
MW305.47 g/mol
LogP4.39
Rot. Bonds8

About N-(2-ethylpyrimidin-4-yl)-3,3-dimethyl-N-pentan-2-ylpentanamide

N-(2-ethylpyrimidin-4-yl)-3,3-dimethyl-N-pentan-2-ylpentanamide (PubChem CID 71107648) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is N-(2-ethylpyrimidin-4-yl)-3,3-dimethyl-N-pentan-2-ylpentanamide.

Molecular Properties

Compound NameN-(2-ethylpyrimidin-4-yl)-3,3-dimethyl-N-pentan-2-ylpentanamide
PubChem CID71107648
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC NameN-(2-ethylpyrimidin-4-yl)-3,3-dimethyl-N-pentan-2-ylpentanamide
SMILESCCCC(C)N(C(=O)CC(C)(C)CC)c1ccnc(CC)n1
InChIInChI=1S/C18H31N3O/c1-7-10-14(4)21(17(22)13-18(5,6)9-3)16-11-12-19-15(8-2)20-16/h11-12,14H,7-10,13H2,1-6H3
InChIKeyOSEMHXWTRGILCM-UHFFFAOYSA-N
XLogP4.39
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-pentan-2-yl-N-(2-propylpyrimidin-4-yl)butanamide
CID 71107027
N-(3-chlorophenyl)-3,3-dimethyl-N-pentan-2-ylpentanamide
CID 71107637
N-butyl-2-ethyl-N-heptan-4-ylpyrimidin-4-amine
CID 71107416
3,3-dimethyl-N-propyl-N-(2-propylpyrimidin-4-yl)butanamide
CID 18735540
N-pentan-2-yl-N-(4-propylpyrimidin-2-yl)propanamide
CID 142120097
N-butyl-N-pentan-2-yl-2-propylpyrimidin-4-amine
CID 71106931
ethane;2-ethyl-4-propan-2-ylpyrimidine
CID 154681512
1-ethyl-1-methyl-3-propan-2-yl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea
CID 21404726
N-(2-ethylpyrimidin-4-yl)acetamide
CID 67743476
ethane;2-ethyl-4-propan-2-ylpyrimidine;sulfanol
CID 165133315
3-(2-ethylpyrimidin-4-yl)benzoic acid
CID 105485424
N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-yl-3,3-dimethylbutanamide
CID 18735981

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpyrimidin-4-yl)-3,3-dimethyl-N-pentan-2-ylpentanamide?
The IUPAC name of N-(2-ethylpyrimidin-4-yl)-3,3-dimethyl-N-pentan-2-ylpentanamide (CID 71107648) is N-(2-ethylpyrimidin-4-yl)-3,3-dimethyl-N-pentan-2-ylpentanamide.
What is the SMILES notation for N-(2-ethylpyrimidin-4-yl)-3,3-dimethyl-N-pentan-2-ylpentanamide?
The canonical SMILES for N-(2-ethylpyrimidin-4-yl)-3,3-dimethyl-N-pentan-2-ylpentanamide is CCCC(C)N(C(=O)CC(C)(C)CC)c1ccnc(CC)n1.
What is the InChIKey of N-(2-ethylpyrimidin-4-yl)-3,3-dimethyl-N-pentan-2-ylpentanamide?
The InChIKey is OSEMHXWTRGILCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-7-10-14(4)21(17(22)13-18(5,6)9-3)16-11-12-19-15(8-2)20-16/h11-12,14H,7-10,13H2,1-6H3.
What are the key properties of N-(2-ethylpyrimidin-4-yl)-3,3-dimethyl-N-pentan-2-ylpentanamide?
N-(2-ethylpyrimidin-4-yl)-3,3-dimethyl-N-pentan-2-ylpentanamide has a molecular weight of 305.47 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpyrimidin-4-yl)-3,3-dimethyl-N-pentan-2-ylpentanamide is sourced from PubChem (CID 71107648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).