4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

C10H11N5 — CID 80777882

IUPAC4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1nccc(NCc2ccccn2)n1
InChIInChI=1S/C10H11N5/c11-10-13-6-4-9(15-10)14-7-8-3-1-2-5-12-8/h1-6H,7H2,(H3,11,13,14,15)
InChIKeyHJSQOEHOAVZABW-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.07
Rot. Bonds3

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

4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80777882) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80777882
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1nccc(NCc2ccccn2)n1
InChIInChI=1S/C10H11N5/c11-10-13-6-4-9(15-10)14-7-8-3-1-2-5-12-8/h1-6H,7H2,(H3,11,13,14,15)
InChIKeyHJSQOEHOAVZABW-UHFFFAOYSA-N
XLogP1.07
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,2-N-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 64829086
6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 80777060
4-N-(2H-triazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 131123469
2-N-(pyridin-2-ylmethyl)pyrazine-2,5-diamine
CID 80652586
6-chloro-2-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine
CID 104923669
6-propan-2-yloxy-2-N-(pyridin-2-ylmethyl)pyridine-2,5-diamine
CID 43261168
2-N-(pyridin-2-ylmethyl)pyrimidine-2,5-diamine
CID 61146429
2-N-(1-phenylethyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112890680
4-N-[(4-methoxyphenyl)methyl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112892381
2-N-[(2-methoxyphenyl)methyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112892258
2-N-[4-(dimethylamino)phenyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893245
6-methoxy-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80777487

Frequently Asked Questions

What is the IUPAC name of 4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 80777882) is 4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is Nc1nccc(NCc2ccccn2)n1.
What is the InChIKey of 4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is HJSQOEHOAVZABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c11-10-13-6-4-9(15-10)14-7-8-3-1-2-5-12-8/h1-6H,7H2,(H3,11,13,14,15).
What are the key properties of 4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 201.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80777882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).