N-pentan-2-yl-N-(4-propylpyrimidin-2-yl)propanamide

C15H25N3O — CID 142120097

IUPACN-pentan-2-yl-N-(4-propylpyrimidin-2-yl)propanamide
SMILESCCCc1ccnc(N(C(=O)CC)C(C)CCC)n1
InChIInChI=1S/C15H25N3O/c1-5-8-12(4)18(14(19)7-3)15-16-11-10-13(17-15)9-6-2/h10-12H,5-9H2,1-4H3
InChIKeyKBFMEZLCIZWVMI-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.36
Rot. Bonds7

About N-pentan-2-yl-N-(4-propylpyrimidin-2-yl)propanamide

N-pentan-2-yl-N-(4-propylpyrimidin-2-yl)propanamide (PubChem CID 142120097) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-pentan-2-yl-N-(4-propylpyrimidin-2-yl)propanamide.

Molecular Properties

Compound NameN-pentan-2-yl-N-(4-propylpyrimidin-2-yl)propanamide
PubChem CID142120097
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-pentan-2-yl-N-(4-propylpyrimidin-2-yl)propanamide
SMILESCCCc1ccnc(N(C(=O)CC)C(C)CCC)n1
InChIInChI=1S/C15H25N3O/c1-5-8-12(4)18(14(19)7-3)15-16-11-10-13(17-15)9-6-2/h10-12H,5-9H2,1-4H3
InChIKeyKBFMEZLCIZWVMI-UHFFFAOYSA-N
XLogP3.36
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-but-1-en-2-yl-N-nonan-5-yl-4-propylpyrimidin-2-amine
CID 142121022
N-pentan-2-yl-N-(2-propylpyrimidin-4-yl)butanamide
CID 71107027
2-propan-2-yl-4-propylpyrimidine
CID 58111235
2-(3-methylhexyl)-4-propylpyrimidine
CID 142121373
1-(4-propylpyrimidin-2-yl)propan-2-one
CID 116901542
ethane;N-methyl-N-nonan-5-yl-4-propylpyrimidin-2-amine;propanal
CID 142122000
3-propan-2-ylsulfanyl-N-(4-propylpyrimidin-2-yl)propanamide
CID 163762658
(Z)-6-butyl-5-[(4-propylpyrimidin-2-yl)methyl]dec-4-en-3-one;ethane
CID 142120524
2-methyl-3-(4-propylpyrimidin-2-yl)propan-1-amine
CID 116898245
azane;2,4-dipropylpyrimidine
CID 174500974
N,4-dibutyl-N-heptan-2-ylpyrimidin-2-amine
CID 71106937
N-(2-ethylpyrimidin-4-yl)-3,3-dimethyl-N-pentan-2-ylpentanamide
CID 71107648

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-N-(4-propylpyrimidin-2-yl)propanamide?
The IUPAC name of N-pentan-2-yl-N-(4-propylpyrimidin-2-yl)propanamide (CID 142120097) is N-pentan-2-yl-N-(4-propylpyrimidin-2-yl)propanamide.
What is the SMILES notation for N-pentan-2-yl-N-(4-propylpyrimidin-2-yl)propanamide?
The canonical SMILES for N-pentan-2-yl-N-(4-propylpyrimidin-2-yl)propanamide is CCCc1ccnc(N(C(=O)CC)C(C)CCC)n1.
What is the InChIKey of N-pentan-2-yl-N-(4-propylpyrimidin-2-yl)propanamide?
The InChIKey is KBFMEZLCIZWVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-8-12(4)18(14(19)7-3)15-16-11-10-13(17-15)9-6-2/h10-12H,5-9H2,1-4H3.
What are the key properties of N-pentan-2-yl-N-(4-propylpyrimidin-2-yl)propanamide?
N-pentan-2-yl-N-(4-propylpyrimidin-2-yl)propanamide has a molecular weight of 263.38 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-N-(4-propylpyrimidin-2-yl)propanamide is sourced from PubChem (CID 142120097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).