2,5-dimethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine

C13H17N5 — CID 80781352

IUPAC2,5-dimethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NC(C)c2ccccn2)n1
InChIInChI=1S/C13H17N5/c1-8-12(14)17-10(3)18-13(8)16-9(2)11-6-4-5-7-15-11/h4-7,9H,1-3H3,(H3,14,16,17,18)
InChIKeyUCHKOTXNWOHBQY-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.24
Rot. Bonds3

About 2,5-dimethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine

2,5-dimethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80781352) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2,5-dimethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-dimethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
PubChem CID80781352
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2,5-dimethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NC(C)c2ccccn2)n1
InChIInChI=1S/C13H17N5/c1-8-12(14)17-10(3)18-13(8)16-9(2)11-6-4-5-7-15-11/h4-7,9H,1-3H3,(H3,14,16,17,18)
InChIKeyUCHKOTXNWOHBQY-UHFFFAOYSA-N
XLogP2.24
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80781349
4-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80802407
4-N-(1-pyridin-2-ylethyl)pyrimidine-4,5-diamine
CID 79916401
4-N-[1-(3-bromophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80807914
8,9-dimethyl-6-N-(1-pyridin-2-ylethyl)purine-2,6-diamine
CID 56730239
3-bromo-2-N-(1-pyridin-2-ylethyl)pyridine-2,5-diamine
CID 79531784
3,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43195401
2,3-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43196433
6-N-(1-pyridin-2-ylethyl)-7H-purine-2,6-diamine
CID 115669349
4-N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324894
4-methyl-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
CID 43524351
5-amino-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one
CID 136973977

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2,5-dimethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine (CID 80781352) is 2,5-dimethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-dimethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2,5-dimethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine is Cc1nc(N)c(C)c(NC(C)c2ccccn2)n1.
What is the InChIKey of 2,5-dimethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is UCHKOTXNWOHBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-8-12(14)17-10(3)18-13(8)16-9(2)11-6-4-5-7-15-11/h4-7,9H,1-3H3,(H3,14,16,17,18).
What are the key properties of 2,5-dimethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
2,5-dimethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80781352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).