6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

C19H21N5 — CID 112916486

IUPAC6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1ccc(CNc2nc(C)cc(NCc3ccncc3)n2)cc1
InChIInChI=1S/C19H21N5/c1-14-3-5-16(6-4-14)13-22-19-23-15(2)11-18(24-19)21-12-17-7-9-20-10-8-17/h3-11H,12-13H2,1-2H3,(H2,21,22,23,24)
InChIKeyNWQPYBNHOZUSPD-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.71
Rot. Bonds6

About 6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112916486) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112916486
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1ccc(CNc2nc(C)cc(NCc3ccncc3)n2)cc1
InChIInChI=1S/C19H21N5/c1-14-3-5-16(6-4-14)13-22-19-23-15(2)11-18(24-19)21-12-17-7-9-20-10-8-17/h3-11H,12-13H2,1-2H3,(H2,21,22,23,24)
InChIKeyNWQPYBNHOZUSPD-UHFFFAOYSA-N
XLogP3.71
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[(4-fluorophenyl)methyl]-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916340
6-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916211
6-methyl-4-N-[(2-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915782
4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919933
2-N-(3,5-dimethylphenyl)-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916401
4-N-(2,4-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919930
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112912785
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112915129
4-N-(furan-2-ylmethyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915116
2-N-(2,6-dimethylphenyl)-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919779
2-N-[(2-methoxyphenyl)methyl]-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916343
4-N-(2,5-dimethylphenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916535

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (CID 112916486) is 6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is Cc1ccc(CNc2nc(C)cc(NCc3ccncc3)n2)cc1.
What is the InChIKey of 6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is NWQPYBNHOZUSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-14-3-5-16(6-4-14)13-22-19-23-15(2)11-18(24-19)21-12-17-7-9-20-10-8-17/h3-11H,12-13H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 319.41 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112916486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).