6-chloro-2-ethyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine

C10H12ClN5 — CID 106193475

IUPAC6-chloro-2-ethyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(NCc2cn[nH]c2)n1
InChIInChI=1S/C10H12ClN5/c1-2-9-15-8(11)3-10(16-9)12-4-7-5-13-14-6-7/h3,5-6H,2,4H2,1H3,(H,13,14)(H,12,15,16)
InChIKeyJNELRCNHQVTDDR-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.03
Rot. Bonds4

About 6-chloro-2-ethyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine

6-chloro-2-ethyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine (PubChem CID 106193475) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
PubChem CID106193475
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name6-chloro-2-ethyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(NCc2cn[nH]c2)n1
InChIInChI=1S/C10H12ClN5/c1-2-9-15-8(11)3-10(16-9)12-4-7-5-13-14-6-7/h3,5-6H,2,4H2,1H3,(H,13,14)(H,12,15,16)
InChIKeyJNELRCNHQVTDDR-UHFFFAOYSA-N
XLogP2.03
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-ethyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine 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

N-benzyl-6-chloro-2-ethylpyrimidin-4-amine
CID 80935618
6-chloro-2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 106193170
6-chloro-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193521
6-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine
CID 106193467
6-chloro-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 80938818
4-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 80935909
2-chloro-6-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 55046147
4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol
CID 106196664
6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine
CID 80944320
6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80935562
6-chloro-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80936719
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol
CID 106842944

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine (CID 106193475) is 6-chloro-2-ethyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine is CCc1nc(Cl)cc(NCc2cn[nH]c2)n1.
What is the InChIKey of 6-chloro-2-ethyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is JNELRCNHQVTDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-2-9-15-8(11)3-10(16-9)12-4-7-5-13-14-6-7/h3,5-6H,2,4H2,1H3,(H,13,14)(H,12,15,16).
What are the key properties of 6-chloro-2-ethyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine?
6-chloro-2-ethyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 237.69 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106193475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).