2-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine

C12H18N6 — CID 104925404

IUPAC2-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NCCc2ccnn2C)n1
InChIInChI=1S/C12H18N6/c1-3-11-16-10(13)8-12(17-11)14-6-4-9-5-7-15-18(9)2/h5,7-8H,3-4,6H2,1-2H3,(H3,13,14,16,17)
InChIKeyBKGNJJMEZPGACW-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.01
Rot. Bonds5

About 2-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine

2-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 104925404) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 2-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID104925404
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name2-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NCCc2ccnn2C)n1
InChIInChI=1S/C12H18N6/c1-3-11-16-10(13)8-12(17-11)14-6-4-9-5-7-15-18(9)2/h5,7-8H,3-4,6H2,1-2H3,(H3,13,14,16,17)
InChIKeyBKGNJJMEZPGACW-UHFFFAOYSA-N
XLogP1.01
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-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-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 103012384
6-hydrazinyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpyrimidin-4-amine
CID 103012689
6-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 104695947
6-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine
CID 113442450
2,6-diethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103001281
2-methyl-6-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-4-carbonitrile
CID 103007006
2-ethyl-4-N-octylpyrimidine-4,6-diamine
CID 113336788
6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 103009998
1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-amine
CID 103001663
2-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propan-2-yloxypyridine-2,5-diamine
CID 103004456
6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridazin-3-amine
CID 103007760
2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,5-diamine
CID 103004407

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine (CID 104925404) is 2-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine is CCc1nc(N)cc(NCCc2ccnn2C)n1.
What is the InChIKey of 2-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is BKGNJJMEZPGACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-3-11-16-10(13)8-12(17-11)14-6-4-9-5-7-15-18(9)2/h5,7-8H,3-4,6H2,1-2H3,(H3,13,14,16,17).
What are the key properties of 2-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine?
2-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 246.32 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 104925404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).