N-tert-butyl-2-(2-cyanoanilino)pyrimidine-5-carboxamide

C16H17N5O — CID 109262949

IUPACN-tert-butyl-2-(2-cyanoanilino)pyrimidine-5-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc(Nc2ccccc2C#N)nc1
InChIInChI=1S/C16H17N5O/c1-16(2,3)21-14(22)12-9-18-15(19-10-12)20-13-7-5-4-6-11(13)8-17/h4-7,9-10H,1-3H3,(H,21,22)(H,18,19,20)
InChIKeyOHYXNHICEYXWQI-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.62
Rot. Bonds3

About N-tert-butyl-2-(2-cyanoanilino)pyrimidine-5-carboxamide

N-tert-butyl-2-(2-cyanoanilino)pyrimidine-5-carboxamide (PubChem CID 109262949) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-tert-butyl-2-(2-cyanoanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-cyanoanilino)pyrimidine-5-carboxamide
PubChem CID109262949
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-tert-butyl-2-(2-cyanoanilino)pyrimidine-5-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc(Nc2ccccc2C#N)nc1
InChIInChI=1S/C16H17N5O/c1-16(2,3)21-14(22)12-9-18-15(19-10-12)20-13-7-5-4-6-11(13)8-17/h4-7,9-10H,1-3H3,(H,21,22)(H,18,19,20)
InChIKeyOHYXNHICEYXWQI-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-tert-butylanilino)-N-(2-cyanophenyl)pyrimidine-5-carboxamide
CID 109268251
N-tert-butyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109262867
N-tert-butyl-5-(2-cyanoanilino)pyridine-2-carboxamide
CID 109195159
methyl 2-[[5-(tert-butylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109262907
2-(2-cyanoanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109270003
N-tert-butyl-2-(4-cyanoanilino)pyrimidine-5-carboxamide
CID 109262951
2-(4-tert-butylanilino)-N-(2-cyanophenyl)pyrimidine-5-carboxamide
CID 109268313
2-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266440
2-(2-cyanoanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251843
N-(4-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-5-carboxamide
CID 109269101
N-(2-cyanophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109269736
N'-tert-butyl-N-(2-cyanophenyl)oxamide
CID 44997713

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-cyanoanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-tert-butyl-2-(2-cyanoanilino)pyrimidine-5-carboxamide (CID 109262949) is N-tert-butyl-2-(2-cyanoanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(2-cyanoanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-tert-butyl-2-(2-cyanoanilino)pyrimidine-5-carboxamide is CC(C)(C)NC(=O)c1cnc(Nc2ccccc2C#N)nc1.
What is the InChIKey of N-tert-butyl-2-(2-cyanoanilino)pyrimidine-5-carboxamide?
The InChIKey is OHYXNHICEYXWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-16(2,3)21-14(22)12-9-18-15(19-10-12)20-13-7-5-4-6-11(13)8-17/h4-7,9-10H,1-3H3,(H,21,22)(H,18,19,20).
What are the key properties of N-tert-butyl-2-(2-cyanoanilino)pyrimidine-5-carboxamide?
N-tert-butyl-2-(2-cyanoanilino)pyrimidine-5-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-cyanoanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109262949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).