2-methyl-6-(4-piperidin-1-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide

C23H33N5O — CID 112847615

IUPAC2-methyl-6-(4-piperidin-1-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Nc2ccc(N3CCCCC3)cc2)nc(C)n1
InChIInChI=1S/C23H33N5O/c1-4-13-28(14-5-2)23(29)21-17-22(25-18(3)24-21)26-19-9-11-20(12-10-19)27-15-7-6-8-16-27/h9-12,17H,4-8,13-16H2,1-3H3,(H,24,25,26)
InChIKeyOQNHNIKVXODALV-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.78
Rot. Bonds8

About 2-methyl-6-(4-piperidin-1-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide

2-methyl-6-(4-piperidin-1-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide (PubChem CID 112847615) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-methyl-6-(4-piperidin-1-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(4-piperidin-1-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide
PubChem CID112847615
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name2-methyl-6-(4-piperidin-1-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Nc2ccc(N3CCCCC3)cc2)nc(C)n1
InChIInChI=1S/C23H33N5O/c1-4-13-28(14-5-2)23(29)21-17-22(25-18(3)24-21)26-19-9-11-20(12-10-19)27-15-7-6-8-16-27/h9-12,17H,4-8,13-16H2,1-3H3,(H,24,25,26)
InChIKeyOQNHNIKVXODALV-UHFFFAOYSA-N
XLogP4.78
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.78
H-Bond Donors ≤ 51
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-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 112847563
N,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109288967
2-methyl-N-(2-methylpropyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109362270
N,N-dipropyl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109218364
2-methyl-6-piperidin-1-yl-N,N-dipropylpyrimidine-4-carboxamide
CID 109363505
N-(2-methoxyethyl)-2-methyl-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109364946
6-(1,3-benzodioxol-5-ylamino)-2-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 112847620
4-[[2-methyl-6-(4-pyrrolidin-1-ylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193334
6-methyl-4-N-(4-piperidin-1-ylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112926428
4-N-butyl-4-N,2-dimethyl-6-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112876409
2-methyl-6-(propylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109360131
6-N-butyl-2-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112867983

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-piperidin-1-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-(4-piperidin-1-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide (CID 112847615) is 2-methyl-6-(4-piperidin-1-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-(4-piperidin-1-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-(4-piperidin-1-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide is CCCN(CCC)C(=O)c1cc(Nc2ccc(N3CCCCC3)cc2)nc(C)n1.
What is the InChIKey of 2-methyl-6-(4-piperidin-1-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The InChIKey is OQNHNIKVXODALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-4-13-28(14-5-2)23(29)21-17-22(25-18(3)24-21)26-19-9-11-20(12-10-19)27-15-7-6-8-16-27/h9-12,17H,4-8,13-16H2,1-3H3,(H,24,25,26).
What are the key properties of 2-methyl-6-(4-piperidin-1-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide?
2-methyl-6-(4-piperidin-1-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-piperidin-1-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide is sourced from PubChem (CID 112847615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).