4-N-(2,5-dimethylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine

C24H29N5O — CID 57397799

IUPAC4-N-(2,5-dimethylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3cc(C)ccc3C)cc(N3CCCCC3)n2)cc1
InChIInChI=1S/C24H29N5O/c1-17-7-8-18(2)21(15-17)26-22-16-23(29-13-5-4-6-14-29)28-24(27-22)25-19-9-11-20(30-3)12-10-19/h7-12,15-16H,4-6,13-14H2,1-3H3,(H2,25,26,27,28)
InChIKeyUKYLUXXNDWLQQH-UHFFFAOYSA-N
MW403.53 g/mol
LogP5.58
Rot. Bonds6

About 4-N-(2,5-dimethylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine

4-N-(2,5-dimethylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine (PubChem CID 57397799) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 4-N-(2,5-dimethylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,5-dimethylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine
PubChem CID57397799
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name4-N-(2,5-dimethylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3cc(C)ccc3C)cc(N3CCCCC3)n2)cc1
InChIInChI=1S/C24H29N5O/c1-17-7-8-18(2)21(15-17)26-22-16-23(29-13-5-4-6-14-29)28-24(27-22)25-19-9-11-20(30-3)12-10-19/h7-12,15-16H,4-6,13-14H2,1-3H3,(H2,25,26,27,28)
InChIKeyUKYLUXXNDWLQQH-UHFFFAOYSA-N
XLogP5.58
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2,5-dimethylphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928075
2-N-(4-methoxyphenyl)-6-piperidin-1-yl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 57399459
N-(4-methoxyphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868530
N-(2,5-dimethylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909317
4-N-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-2-N-phenylpyrimidine-2,4-diamine
CID 46847417
5-N-(2,5-dimethylphenyl)-3-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963176
4-N-(3-methoxyphenyl)-2-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 142666875
4-N-(2,5-dimethylphenyl)-2-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928074
4-N-(2-methoxy-5-methylphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112905033
methyl 4-[[4-(2,5-dimethylanilino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112928090
2-N-(2,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928025
N-(4-methoxyphenyl)-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 57399456

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,5-dimethylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine (CID 57397799) is 4-N-(2,5-dimethylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,5-dimethylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,5-dimethylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine is COc1ccc(Nc2nc(Nc3cc(C)ccc3C)cc(N3CCCCC3)n2)cc1.
What is the InChIKey of 4-N-(2,5-dimethylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine?
The InChIKey is UKYLUXXNDWLQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-17-7-8-18(2)21(15-17)26-22-16-23(29-13-5-4-6-14-29)28-24(27-22)25-19-9-11-20(30-3)12-10-19/h7-12,15-16H,4-6,13-14H2,1-3H3,(H2,25,26,27,28).
What are the key properties of 4-N-(2,5-dimethylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine?
4-N-(2,5-dimethylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine has a molecular weight of 403.53 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 57397799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).