4-N-(2,4-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

C19H21N5 — CID 112919930

IUPAC4-N-(2,4-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2cc(C)nc(NCc3ccncc3)n2)c(C)c1
InChIInChI=1S/C19H21N5/c1-13-4-5-17(14(2)10-13)23-18-11-15(3)22-19(24-18)21-12-16-6-8-20-9-7-16/h4-11H,12H2,1-3H3,(H2,21,22,23,24)
InChIKeyYVIHTJUARLKAMX-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.15
Rot. Bonds5

About 4-N-(2,4-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

4-N-(2,4-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112919930) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-N-(2,4-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112919930
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name4-N-(2,4-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2cc(C)nc(NCc3ccncc3)n2)c(C)c1
InChIInChI=1S/C19H21N5/c1-13-4-5-17(14(2)10-13)23-18-11-15(3)22-19(24-18)21-12-16-6-8-20-9-7-16/h4-11H,12H2,1-3H3,(H2,21,22,23,24)
InChIKeyYVIHTJUARLKAMX-UHFFFAOYSA-N
XLogP4.15
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-chloro-2-methylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919954
5-N-(2,4-dimethylphenyl)-3-N-(pyridin-4-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112952684
4-N-(2,5-dimethylphenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916535
2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112922793
6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916486
4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919933
4-N-(2,4-dimethylphenyl)-2-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920870
4-N-(2,4-dimethylphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921398
4-N-(2,4-dimethylphenyl)-2-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918341
6-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916211
4-N-(4-bromophenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919960
4-N-(2,4-difluorophenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916596

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,4-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (CID 112919930) is 4-N-(2,4-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,4-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,4-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is Cc1ccc(Nc2cc(C)nc(NCc3ccncc3)n2)c(C)c1.
What is the InChIKey of 4-N-(2,4-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is YVIHTJUARLKAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-13-4-5-17(14(2)10-13)23-18-11-15(3)22-19(24-18)21-12-16-6-8-20-9-7-16/h4-11H,12H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 4-N-(2,4-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
4-N-(2,4-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 319.41 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112919930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).