6-methyl-4-N-(4-piperidin-1-ylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine

C22H33N5 — CID 112926428

IUPAC6-methyl-4-N-(4-piperidin-1-ylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1nc(C)cc(Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C22H33N5/c1-4-13-27(14-5-2)22-23-18(3)17-21(25-22)24-19-9-11-20(12-10-19)26-15-7-6-8-16-26/h9-12,17H,4-8,13-16H2,1-3H3,(H,23,24,25)
InChIKeyYZCVKJUIFATJBJ-UHFFFAOYSA-N
MW367.54 g/mol
LogP5.15
Rot. Bonds8

About 6-methyl-4-N-(4-piperidin-1-ylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine

6-methyl-4-N-(4-piperidin-1-ylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine (PubChem CID 112926428) has the molecular formula C22H33N5 and a molecular weight of 367.54 g/mol. Its IUPAC name is 6-methyl-4-N-(4-piperidin-1-ylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(4-piperidin-1-ylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
PubChem CID112926428
Molecular FormulaC22H33N5
Molecular Weight367.54 g/mol
Exact Mass367.27
IUPAC Name6-methyl-4-N-(4-piperidin-1-ylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1nc(C)cc(Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C22H33N5/c1-4-13-27(14-5-2)22-23-18(3)17-21(25-22)24-19-9-11-20(12-10-19)26-15-7-6-8-16-26/h9-12,17H,4-8,13-16H2,1-3H3,(H,23,24,25)
InChIKeyYZCVKJUIFATJBJ-UHFFFAOYSA-N
XLogP5.15
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.54
LogP ≤ 55.15
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

6-methyl-N-(4-piperidin-1-ylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909558
4-[[2-(dipropylamino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112926457
6-methyl-2-N-pentyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112925545
2-N-(4-ethylphenyl)-6-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112928742
2-methyl-6-(4-piperidin-1-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 112847615
2-N,2-N-diethyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112899225
4-methyl-N,N-dipropyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909304
2-hydrazinyl-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 80906686
4-N,4-N-diethyl-1-N-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 112909556
4-N-butyl-4-N,2-dimethyl-6-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112876409
2-N-(4-ethoxyphenyl)-6-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112930929
5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960996

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(4-piperidin-1-ylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(4-piperidin-1-ylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine (CID 112926428) is 6-methyl-4-N-(4-piperidin-1-ylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(4-piperidin-1-ylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(4-piperidin-1-ylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine is CCCN(CCC)c1nc(C)cc(Nc2ccc(N3CCCCC3)cc2)n1.
What is the InChIKey of 6-methyl-4-N-(4-piperidin-1-ylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine?
The InChIKey is YZCVKJUIFATJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5/c1-4-13-27(14-5-2)22-23-18(3)17-21(25-22)24-19-9-11-20(12-10-19)26-15-7-6-8-16-26/h9-12,17H,4-8,13-16H2,1-3H3,(H,23,24,25).
What are the key properties of 6-methyl-4-N-(4-piperidin-1-ylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine?
6-methyl-4-N-(4-piperidin-1-ylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine has a molecular weight of 367.54 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(4-piperidin-1-ylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine is sourced from PubChem (CID 112926428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).