4-chloro-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-3-amine

C10H12ClN5O — CID 66332431

IUPAC4-chloro-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-3-amine
SMILESCC(C)Oc1cc(-n2cc(Cl)c(N)n2)ncn1
InChIInChI=1S/C10H12ClN5O/c1-6(2)17-9-3-8(13-5-14-9)16-4-7(11)10(12)15-16/h3-6H,1-2H3,(H2,12,15)
InChIKeyKQIXHIBRXAFUOT-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.69
Rot. Bonds3

About 4-chloro-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-3-amine

4-chloro-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-3-amine (PubChem CID 66332431) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 4-chloro-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-3-amine
PubChem CID66332431
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name4-chloro-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-3-amine
SMILESCC(C)Oc1cc(-n2cc(Cl)c(N)n2)ncn1
InChIInChI=1S/C10H12ClN5O/c1-6(2)17-9-3-8(13-5-14-9)16-4-7(11)10(12)15-16/h3-6H,1-2H3,(H2,12,15)
InChIKeyKQIXHIBRXAFUOT-UHFFFAOYSA-N
XLogP1.69
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-3-amine?
The IUPAC name of 4-chloro-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-3-amine (CID 66332431) is 4-chloro-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-3-amine is CC(C)Oc1cc(-n2cc(Cl)c(N)n2)ncn1.
What is the InChIKey of 4-chloro-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-3-amine?
The InChIKey is KQIXHIBRXAFUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c1-6(2)17-9-3-8(13-5-14-9)16-4-7(11)10(12)15-16/h3-6H,1-2H3,(H2,12,15).
What are the key properties of 4-chloro-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-3-amine?
4-chloro-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-3-amine has a molecular weight of 253.69 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazol-3-amine is sourced from PubChem (CID 66332431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).