5-methyl-2-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

C17H18N6 — CID 71922543

IUPAC5-methyl-2-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cnc(NCc2ccccn2)nc1NCc1ccccn1
InChIInChI=1S/C17H18N6/c1-13-10-21-17(22-12-15-7-3-5-9-19-15)23-16(13)20-11-14-6-2-4-8-18-14/h2-10H,11-12H2,1H3,(H2,20,21,22,23)
InChIKeyMOLXYASANPZLBQ-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.80
Rot. Bonds6

About 5-methyl-2-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

5-methyl-2-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 71922543) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-methyl-2-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-2-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID71922543
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name5-methyl-2-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cnc(NCc2ccccn2)nc1NCc1ccccn1
InChIInChI=1S/C17H18N6/c1-13-10-21-17(22-12-15-7-3-5-9-19-15)23-16(13)20-11-14-6-2-4-8-18-14/h2-10H,11-12H2,1H3,(H2,20,21,22,23)
InChIKeyMOLXYASANPZLBQ-UHFFFAOYSA-N
XLogP2.80
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydrazinyl-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80943748
2-chloro-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 79076173
5-chloro-2-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 80777970
2-N,5-dimethyl-4-N-(pyrimidin-4-ylmethyl)pyrimidine-2,4-diamine
CID 114112685
2-N-(pyridin-2-ylmethyl)pyrimidine-2,5-diamine
CID 61146429
5-fluoro-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 115749808
6-methyl-2-N-(pyridin-2-ylmethyl)pyridine-2,3-diamine
CID 81132178
6-chloro-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 63728239
4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 63329318
2-methyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine chloride
CID 53346777
4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636546
N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 123270108

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-2-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 71922543) is 5-methyl-2-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-2-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-2-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is Cc1cnc(NCc2ccccn2)nc1NCc1ccccn1.
What is the InChIKey of 5-methyl-2-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is MOLXYASANPZLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-13-10-21-17(22-12-15-7-3-5-9-19-15)23-16(13)20-11-14-6-2-4-8-18-14/h2-10H,11-12H2,1H3,(H2,20,21,22,23).
What are the key properties of 5-methyl-2-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
5-methyl-2-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 306.37 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 71922543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).