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

C12H15N5 — CID 80781349

IUPAC2-methyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NC(C)c2ccccn2)n1
InChIInChI=1S/C12H15N5/c1-8(10-5-3-4-6-14-10)15-12-7-11(13)16-9(2)17-12/h3-8H,1-2H3,(H3,13,15,16,17)
InChIKeyPWMQXEWCVKDJNO-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.94
Rot. Bonds3

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

2-methyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80781349) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-methyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
PubChem CID80781349
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name2-methyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NC(C)c2ccccn2)n1
InChIInChI=1S/C12H15N5/c1-8(10-5-3-4-6-14-10)15-12-7-11(13)16-9(2)17-12/h3-8H,1-2H3,(H3,13,15,16,17)
InChIKeyPWMQXEWCVKDJNO-UHFFFAOYSA-N
XLogP1.94
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717521
2,5-dimethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80781352
5-methyl-2-N-(1-pyridin-2-ylethyl)pyridine-2,4-diamine
CID 83266097
6-chloro-2-methylsulfanyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine
CID 112724557
4-N-[1-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80802316
3,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43195401
6-hydrazinyl-N-(1-pyridin-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775355
6-hydrazinyl-N-(1-pyridin-2-ylethyl)pyrazin-2-amine
CID 80906571
4-methyl-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
CID 43524351
5-methyl-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 115922253
2,6-ditert-butyl-4-methyl-N-(1-pyridin-2-ylethyl)aniline
CID 20706847
6-chloro-2-cyclopropyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine
CID 80953116

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine (CID 80781349) is 2-methyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine is Cc1nc(N)cc(NC(C)c2ccccn2)n1.
What is the InChIKey of 2-methyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is PWMQXEWCVKDJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-8(10-5-3-4-6-14-10)15-12-7-11(13)16-9(2)17-12/h3-8H,1-2H3,(H3,13,15,16,17).
What are the key properties of 2-methyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
2-methyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 229.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80781349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).