6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4,6-triamine

C13H18N6 — CID 80777060

IUPAC6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NCc2ccccn2)nc(N)n1
InChIInChI=1S/C13H18N6/c1-2-6-16-11-8-12(19-13(14)18-11)17-9-10-5-3-4-7-15-10/h3-5,7-8H,2,6,9H2,1H3,(H4,14,16,17,18,19)
InChIKeyQLLYBOZIUFNWLK-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.89
Rot. Bonds6

About 6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4,6-triamine

6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4,6-triamine (PubChem CID 80777060) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4,6-triamine
PubChem CID80777060
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NCc2ccccn2)nc(N)n1
InChIInChI=1S/C13H18N6/c1-2-6-16-11-8-12(19-13(14)18-11)17-9-10-5-3-4-7-15-10/h3-5,7-8H,2,6,9H2,1H3,(H4,14,16,17,18,19)
InChIKeyQLLYBOZIUFNWLK-UHFFFAOYSA-N
XLogP1.89
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4,6-triamine with MolForge

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Related Compounds

2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80777163
2-methylsulfanyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80778062
4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 80777882
6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80946582
6-N-(2-methoxyethyl)-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112869473
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80814394
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
6-chloro-2-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine
CID 104923669
6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870532
6-N-ethyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80938770
4-N-[(5-chlorothiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80836366
ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine
CID 144892285

Frequently Asked Questions

What is the IUPAC name of 6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4,6-triamine (CID 80777060) is 6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4,6-triamine is CCCNc1cc(NCc2ccccn2)nc(N)n1.
What is the InChIKey of 6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4,6-triamine?
The InChIKey is QLLYBOZIUFNWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-2-6-16-11-8-12(19-13(14)18-11)17-9-10-5-3-4-7-15-10/h3-5,7-8H,2,6,9H2,1H3,(H4,14,16,17,18,19).
What are the key properties of 6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4,6-triamine?
6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4,6-triamine has a molecular weight of 258.33 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80777060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).