2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethylpyrimidin-4-amine

C12H14ClN5 — CID 86047710

IUPAC2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethylpyrimidin-4-amine
SMILESCCc1cc(Nc2cc(C3CC3)[nH]n2)nc(Cl)n1
InChIInChI=1S/C12H14ClN5/c1-2-8-5-10(16-12(13)14-8)15-11-6-9(17-18-11)7-3-4-7/h5-7H,2-4H2,1H3,(H2,14,15,16,17,18)
InChIKeyHKCNGIVEHOMQHZ-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.04
Rot. Bonds4

About 2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethylpyrimidin-4-amine

2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethylpyrimidin-4-amine (PubChem CID 86047710) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethylpyrimidin-4-amine
PubChem CID86047710
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC Name2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethylpyrimidin-4-amine
SMILESCCc1cc(Nc2cc(C3CC3)[nH]n2)nc(Cl)n1
InChIInChI=1S/C12H14ClN5/c1-2-8-5-10(16-12(13)14-8)15-11-6-9(17-18-11)7-3-4-7/h5-7H,2-4H2,1H3,(H2,14,15,16,17,18)
InChIKeyHKCNGIVEHOMQHZ-UHFFFAOYSA-N
XLogP3.04
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethylpyrimidin-4-amine (CID 86047710) is 2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethylpyrimidin-4-amine is CCc1cc(Nc2cc(C3CC3)[nH]n2)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethylpyrimidin-4-amine?
The InChIKey is HKCNGIVEHOMQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c1-2-8-5-10(16-12(13)14-8)15-11-6-9(17-18-11)7-3-4-7/h5-7H,2-4H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethylpyrimidin-4-amine?
2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethylpyrimidin-4-amine has a molecular weight of 263.73 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 86047710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).