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

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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).