6-(tert-butylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide

C16H17N5O — CID 109353836

IUPAC6-(tert-butylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
SMILESCC(C)(C)Nc1cc(C(=O)Nc2cccc(C#N)c2)ncn1
InChIInChI=1S/C16H17N5O/c1-16(2,3)21-14-8-13(18-10-19-14)15(22)20-12-6-4-5-11(7-12)9-17/h4-8,10H,1-3H3,(H,20,22)(H,18,19,21)
InChIKeyJJSUVJHVGPASDE-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.81
Rot. Bonds3

About 6-(tert-butylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide

6-(tert-butylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide (PubChem CID 109353836) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 6-(tert-butylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(tert-butylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
PubChem CID109353836
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name6-(tert-butylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
SMILESCC(C)(C)Nc1cc(C(=O)Nc2cccc(C#N)c2)ncn1
InChIInChI=1S/C16H17N5O/c1-16(2,3)21-14-8-13(18-10-19-14)15(22)20-12-6-4-5-11(7-12)9-17/h4-8,10H,1-3H3,(H,20,22)(H,18,19,21)
InChIKeyJJSUVJHVGPASDE-UHFFFAOYSA-N
XLogP2.81
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(tert-butylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-acetamidoanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109359458
N-(3-cyanophenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109344224
6-(benzylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109346612
N-(3-cyanophenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350268
N-(3-cyanophenyl)-6-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109354032
N-(3-cyanophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109353666
6-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109359281
6-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357156
N-(3-cyanophenyl)-6-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351078
6-(tert-butylamino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109353739
6-(3-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359085
N-(3-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109359156

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(tert-butylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide (CID 109353836) is 6-(tert-butylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(tert-butylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(tert-butylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide is CC(C)(C)Nc1cc(C(=O)Nc2cccc(C#N)c2)ncn1.
What is the InChIKey of 6-(tert-butylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide?
The InChIKey is JJSUVJHVGPASDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-16(2,3)21-14-8-13(18-10-19-14)15(22)20-12-6-4-5-11(7-12)9-17/h4-8,10H,1-3H3,(H,20,22)(H,18,19,21).
What are the key properties of 6-(tert-butylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide?
6-(tert-butylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109353836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).