2-(3-methylbutylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide

C18H24N4O — CID 109307886

IUPAC2-(3-methylbutylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCC(C)CCNc1nccc(C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C18H24N4O/c1-14(2)8-11-20-18-21-13-10-16(22-18)17(23)19-12-9-15-6-4-3-5-7-15/h3-7,10,13-14H,8-9,11-12H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyVJZUVOQTJWWAAO-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.91
Rot. Bonds8

About 2-(3-methylbutylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide

2-(3-methylbutylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109307886) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(3-methylbutylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-methylbutylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109307886
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-(3-methylbutylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCC(C)CCNc1nccc(C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C18H24N4O/c1-14(2)8-11-20-18-21-13-10-16(22-18)17(23)19-12-9-15-6-4-3-5-7-15/h3-7,10,13-14H,8-9,11-12H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyVJZUVOQTJWWAAO-UHFFFAOYSA-N
XLogP2.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311741
2-(2-methoxyethylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109299630
N-butyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109296575
N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109305403
2-(3-methylbutylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307058
2-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109306340
N-(2-phenylethyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109307912
N-(3-methylbutyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307488
N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109308746
N-[(4-chlorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109306057
N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109303470
N-[(2-methoxyphenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109306256

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-methylbutylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide (CID 109307886) is 2-(3-methylbutylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-methylbutylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-methylbutylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide is CC(C)CCNc1nccc(C(=O)NCCc2ccccc2)n1.
What is the InChIKey of 2-(3-methylbutylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is VJZUVOQTJWWAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14(2)8-11-20-18-21-13-10-16(22-18)17(23)19-12-9-15-6-4-3-5-7-15/h3-7,10,13-14H,8-9,11-12H2,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-(3-methylbutylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
2-(3-methylbutylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).