4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

C18H19N5 — CID 112889977

IUPAC4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cccc(CNc2ccnc(NCc3cccnc3)n2)c1
InChIInChI=1S/C18H19N5/c1-14-4-2-5-15(10-14)12-21-17-7-9-20-18(23-17)22-13-16-6-3-8-19-11-16/h2-11H,12-13H2,1H3,(H2,20,21,22,23)
InChIKeyCVJBWMDRLBFSOE-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.40
Rot. Bonds6

About 4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112889977) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112889977
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cccc(CNc2ccnc(NCc3cccnc3)n2)c1
InChIInChI=1S/C18H19N5/c1-14-4-2-5-15(10-14)12-21-17-7-9-20-18(23-17)22-13-16-6-3-8-19-11-16/h2-11H,12-13H2,1H3,(H2,20,21,22,23)
InChIKeyCVJBWMDRLBFSOE-UHFFFAOYSA-N
XLogP3.40
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889409
2-N-(4-methylphenyl)-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890029
4-N-[(3-methylphenyl)methyl]-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882676
2-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80944833
4-N-tert-butyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893591
4-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 40787521
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893554
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890023
2-N-(2-chloro-4,6-dimethylphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893482
4-[[4-[(3-methylphenyl)methylamino]pyrimidin-2-yl]amino]benzonitrile
CID 112890119
2-N-(4-ethylphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893462
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893601

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (CID 112889977) is 4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is Cc1cccc(CNc2ccnc(NCc3cccnc3)n2)c1.
What is the InChIKey of 4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is CVJBWMDRLBFSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-14-4-2-5-15(10-14)12-21-17-7-9-20-18(23-17)22-13-16-6-3-8-19-11-16/h2-11H,12-13H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 305.38 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112889977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).