2-methyl-N-(2-methylpropyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide

C21H29N5O — CID 109362270

IUPAC2-methyl-N-(2-methylpropyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(N3CCCCC3)cc2)cc(C(=O)NCC(C)C)n1
InChIInChI=1S/C21H29N5O/c1-15(2)14-22-21(27)19-13-20(24-16(3)23-19)25-17-7-9-18(10-8-17)26-11-5-4-6-12-26/h7-10,13,15H,4-6,11-12,14H2,1-3H3,(H,22,27)(H,23,24,25)
InChIKeyVGLZMADFZGQRQC-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.90
Rot. Bonds6

About 2-methyl-N-(2-methylpropyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide

2-methyl-N-(2-methylpropyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide (PubChem CID 109362270) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
PubChem CID109362270
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name2-methyl-N-(2-methylpropyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(N3CCCCC3)cc2)cc(C(=O)NCC(C)C)n1
InChIInChI=1S/C21H29N5O/c1-15(2)14-22-21(27)19-13-20(24-16(3)23-19)25-17-7-9-18(10-8-17)26-11-5-4-6-12-26/h7-10,13,15H,4-6,11-12,14H2,1-3H3,(H,22,27)(H,23,24,25)
InChIKeyVGLZMADFZGQRQC-UHFFFAOYSA-N
XLogP3.90
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109362271
N-(2-methoxyethyl)-2-methyl-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109364946
6-(4-bromoanilino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109362242
2-methyl-6-(4-piperidin-1-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 112847615
N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109297037
6-(cyclohexylamino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109362124
4-[[2-methyl-6-(4-pyrrolidin-1-ylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193334
6-(tert-butylamino)-2-methyl-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109373734
6-(cyclohexylamino)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109363902
2-methyl-6-(propylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109360131
6-(2-bromoanilino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109362278
6-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 62923074

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide (CID 109362270) is 2-methyl-N-(2-methylpropyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide is Cc1nc(Nc2ccc(N3CCCCC3)cc2)cc(C(=O)NCC(C)C)n1.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide?
The InChIKey is VGLZMADFZGQRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-15(2)14-22-21(27)19-13-20(24-16(3)23-19)25-17-7-9-18(10-8-17)26-11-5-4-6-12-26/h7-10,13,15H,4-6,11-12,14H2,1-3H3,(H,22,27)(H,23,24,25).
What are the key properties of 2-methyl-N-(2-methylpropyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide?
2-methyl-N-(2-methylpropyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109362270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).