N-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-pentan-3-ylbutanamide

C17H29N3O — CID 18735679

IUPACN-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-pentan-3-ylbutanamide
SMILESCCc1cnc(N(C(=O)CC(C)(C)C)C(CC)CC)nc1
InChIInChI=1S/C17H29N3O/c1-7-13-11-18-16(19-12-13)20(14(8-2)9-3)15(21)10-17(4,5)6/h11-12,14H,7-10H2,1-6H3
InChIKeyTZHLPSRZODAXRH-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.00
Rot. Bonds6

About N-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-pentan-3-ylbutanamide

N-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-pentan-3-ylbutanamide (PubChem CID 18735679) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-pentan-3-ylbutanamide.

Molecular Properties

Compound NameN-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-pentan-3-ylbutanamide
PubChem CID18735679
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-pentan-3-ylbutanamide
SMILESCCc1cnc(N(C(=O)CC(C)(C)C)C(CC)CC)nc1
InChIInChI=1S/C17H29N3O/c1-7-13-11-18-16(19-12-13)20(14(8-2)9-3)15(21)10-17(4,5)6/h11-12,14H,7-10H2,1-6H3
InChIKeyTZHLPSRZODAXRH-UHFFFAOYSA-N
XLogP4.00
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-pentan-3-ylbutanamide?
The IUPAC name of N-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-pentan-3-ylbutanamide (CID 18735679) is N-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-pentan-3-ylbutanamide.
What is the SMILES notation for N-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-pentan-3-ylbutanamide?
The canonical SMILES for N-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-pentan-3-ylbutanamide is CCc1cnc(N(C(=O)CC(C)(C)C)C(CC)CC)nc1.
What is the InChIKey of N-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-pentan-3-ylbutanamide?
The InChIKey is TZHLPSRZODAXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-7-13-11-18-16(19-12-13)20(14(8-2)9-3)15(21)10-17(4,5)6/h11-12,14H,7-10H2,1-6H3.
What are the key properties of N-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-pentan-3-ylbutanamide?
N-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-pentan-3-ylbutanamide has a molecular weight of 291.44 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylpyrimidin-2-yl)-3,3-dimethyl-N-pentan-3-ylbutanamide is sourced from PubChem (CID 18735679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).