6-(2-methylpropylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide

C17H22N4O — CID 109340230

IUPAC6-(2-methylpropylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCC(C)CNc1cc(C(=O)NCCc2ccccc2)ncn1
InChIInChI=1S/C17H22N4O/c1-13(2)11-19-16-10-15(20-12-21-16)17(22)18-9-8-14-6-4-3-5-7-14/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyISHMJUIBOHYNRD-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.52
Rot. Bonds7

About 6-(2-methylpropylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide

6-(2-methylpropylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109340230) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-(2-methylpropylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methylpropylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109340230
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name6-(2-methylpropylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCC(C)CNc1cc(C(=O)NCCc2ccccc2)ncn1
InChIInChI=1S/C17H22N4O/c1-13(2)11-19-16-10-15(20-12-21-16)17(22)18-9-8-14-6-4-3-5-7-14/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyISHMJUIBOHYNRD-UHFFFAOYSA-N
XLogP2.52
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340213
6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350546
6-[(3-methylphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109347033
6-[2-(3-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350566
N-[2-(4-fluorophenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109351098
6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350581
6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340422
N-[2-(3-chlorophenyl)ethyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353519
methyl 4-[[6-(2-phenylethylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109350619
N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109351358
6-[2-(4-chlorophenyl)ethylamino]-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109352329
6-(3-fluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350623

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-methylpropylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide (CID 109340230) is 6-(2-methylpropylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-methylpropylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-methylpropylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide is CC(C)CNc1cc(C(=O)NCCc2ccccc2)ncn1.
What is the InChIKey of 6-(2-methylpropylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is ISHMJUIBOHYNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13(2)11-19-16-10-15(20-12-21-16)17(22)18-9-8-14-6-4-3-5-7-14/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,18,22)(H,19,20,21).
What are the key properties of 6-(2-methylpropylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
6-(2-methylpropylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109340230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).