6-butyl-2-N-(4-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

C21H25N5 — CID 44526621

IUPAC6-butyl-2-N-(4-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCCCCc1cc(NCc2ccncc2)nc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C21H25N5/c1-3-4-5-19-14-20(23-15-17-10-12-22-13-11-17)26-21(25-19)24-18-8-6-16(2)7-9-18/h6-14H,3-5,15H2,1-2H3,(H2,23,24,25,26)
InChIKeyNMDOYSIYPZHLBS-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.88
Rot. Bonds8

About 6-butyl-2-N-(4-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

6-butyl-2-N-(4-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 44526621) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 6-butyl-2-N-(4-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-butyl-2-N-(4-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID44526621
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name6-butyl-2-N-(4-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCCCCc1cc(NCc2ccncc2)nc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C21H25N5/c1-3-4-5-19-14-20(23-15-17-10-12-22-13-11-17)26-21(25-19)24-18-8-6-16(2)7-9-18/h6-14H,3-5,15H2,1-2H3,(H2,23,24,25,26)
InChIKeyNMDOYSIYPZHLBS-UHFFFAOYSA-N
XLogP4.88
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-butyl-4-N-ethyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 44526612
6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916486
2-N-(3,5-dimethylphenyl)-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916401
4-[[4-methyl-6-[(4-methylphenyl)methylamino]pyrimidin-2-yl]amino]benzonitrile
CID 112916468
2-N-(2,6-dimethylphenyl)-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919779
4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 5276763
4-N-dodecyl-2-N-phenyl-6-propylpyrimidine-2,4-diamine
CID 58693152
2-N-(2-ethyl-6-methylphenyl)-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919784
4-N-(4-bromophenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919960
4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919933
6-methyl-4-N-(4-propan-2-ylphenyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919941
4-[[4-phenyl-6-(pyridin-4-ylmethylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112937400

Frequently Asked Questions

What is the IUPAC name of 6-butyl-2-N-(4-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-butyl-2-N-(4-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (CID 44526621) is 6-butyl-2-N-(4-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-butyl-2-N-(4-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-butyl-2-N-(4-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is CCCCc1cc(NCc2ccncc2)nc(Nc2ccc(C)cc2)n1.
What is the InChIKey of 6-butyl-2-N-(4-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is NMDOYSIYPZHLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-3-4-5-19-14-20(23-15-17-10-12-22-13-11-17)26-21(25-19)24-18-8-6-16(2)7-9-18/h6-14H,3-5,15H2,1-2H3,(H2,23,24,25,26).
What are the key properties of 6-butyl-2-N-(4-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
6-butyl-2-N-(4-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 347.47 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2-N-(4-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 44526621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).