4-chloro-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-2-amine

C10H12ClN5 — CID 80736296

IUPAC4-chloro-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-2-amine
SMILESCC(C)c1ccn(-c2cc(Cl)nc(N)n2)n1
InChIInChI=1S/C10H12ClN5/c1-6(2)7-3-4-16(15-7)9-5-8(11)13-10(12)14-9/h3-6H,1-2H3,(H2,12,13,14)
InChIKeySETXMCFPESIMCU-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.02
Rot. Bonds2

About 4-chloro-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-2-amine

4-chloro-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-2-amine (PubChem CID 80736296) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 4-chloro-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-2-amine
PubChem CID80736296
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name4-chloro-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-2-amine
SMILESCC(C)c1ccn(-c2cc(Cl)nc(N)n2)n1
InChIInChI=1S/C10H12ClN5/c1-6(2)7-3-4-16(15-7)9-5-8(11)13-10(12)14-9/h3-6H,1-2H3,(H2,12,13,14)
InChIKeySETXMCFPESIMCU-UHFFFAOYSA-N
XLogP2.02
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-2-amine (CID 80736296) is 4-chloro-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-2-amine is CC(C)c1ccn(-c2cc(Cl)nc(N)n2)n1.
What is the InChIKey of 4-chloro-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-2-amine?
The InChIKey is SETXMCFPESIMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-6(2)7-3-4-16(15-7)9-5-8(11)13-10(12)14-9/h3-6H,1-2H3,(H2,12,13,14).
What are the key properties of 4-chloro-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-2-amine?
4-chloro-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-2-amine has a molecular weight of 237.69 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 80736296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).