2-(3-methylbutylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide

C18H24N4O — CID 109256382

IUPAC2-(3-methylbutylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
SMILESCC(C)CCNc1ncc(C(=O)NC(C)c2ccccc2)cn1
InChIInChI=1S/C18H24N4O/c1-13(2)9-10-19-18-20-11-16(12-21-18)17(23)22-14(3)15-7-5-4-6-8-15/h4-8,11-14H,9-10H2,1-3H3,(H,22,23)(H,19,20,21)
InChIKeyCKQMNDWKXFYVMW-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.43
Rot. Bonds7

About 2-(3-methylbutylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide

2-(3-methylbutylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide (PubChem CID 109256382) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(3-methylbutylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-methylbutylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
PubChem CID109256382
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-(3-methylbutylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
SMILESCC(C)CCNc1ncc(C(=O)NC(C)c2ccccc2)cn1
InChIInChI=1S/C18H24N4O/c1-13(2)9-10-19-18-20-11-16(12-21-18)17(23)22-14(3)15-7-5-4-6-8-15/h4-8,11-14H,9-10H2,1-3H3,(H,22,23)(H,19,20,21)
InChIKeyCKQMNDWKXFYVMW-UHFFFAOYSA-N
XLogP3.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109253182
N-(3-methylbutyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259527
2-(3-methylbutylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 109263592
N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide
CID 109256911
6-(ethylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 62165290
N-ethyl-2-(3-methylbutylamino)-N-phenylpyrimidine-5-carboxamide
CID 109263537
N-(1-phenylethyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109256409
2-(3-chloro-4-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256422
2-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide
CID 109263593
5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 43414636
N-(2-methylpropyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109248455
2-(3,4-difluoroanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256475

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-methylbutylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide (CID 109256382) is 2-(3-methylbutylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-methylbutylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-methylbutylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide is CC(C)CCNc1ncc(C(=O)NC(C)c2ccccc2)cn1.
What is the InChIKey of 2-(3-methylbutylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide?
The InChIKey is CKQMNDWKXFYVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13(2)9-10-19-18-20-11-16(12-21-18)17(23)22-14(3)15-7-5-4-6-8-15/h4-8,11-14H,9-10H2,1-3H3,(H,22,23)(H,19,20,21).
What are the key properties of 2-(3-methylbutylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide?
2-(3-methylbutylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109256382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).