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

C12H15N5 — CID 80790430

IUPAC4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCN(CCc1ccncc1)c1ccnc(N)n1
InChIInChI=1S/C12H15N5/c1-17(11-4-8-15-12(13)16-11)9-5-10-2-6-14-7-3-10/h2-4,6-8H,5,9H2,1H3,(H2,13,15,16)
InChIKeyUGCIIAANNYHMEZ-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.13
Rot. Bonds4

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

4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 80790430) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID80790430
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCN(CCc1ccncc1)c1ccnc(N)n1
InChIInChI=1S/C12H15N5/c1-17(11-4-8-15-12(13)16-11)9-5-10-2-6-14-7-3-10/h2-4,6-8H,5,9H2,1H3,(H2,13,15,16)
InChIKeyUGCIIAANNYHMEZ-UHFFFAOYSA-N
XLogP1.13
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 80765765
2-N-benzyl-2-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112890972
5-fluoro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80791974
2-N-[2-(dimethylamino)ethyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887147
6-ethoxy-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,5-diamine
CID 60913529
4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112667653
N-methyl-2-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 112886568
4-N-methyl-6-N-propyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4,6-triamine
CID 80773723
2-N-[(4-chlorophenyl)methyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112892018
2-(4-ethylpiperazin-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 112888401
5-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
CID 107373359
2-N-(furan-2-ylmethyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112889297

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (CID 80790430) is 4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is CN(CCc1ccncc1)c1ccnc(N)n1.
What is the InChIKey of 4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is UGCIIAANNYHMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-17(11-4-8-15-12(13)16-11)9-5-10-2-6-14-7-3-10/h2-4,6-8H,5,9H2,1H3,(H2,13,15,16).
What are the key properties of 4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 229.29 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80790430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).