2-chloro-5-fluoro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidin-4-amine

C10H11ClFN5O — CID 87616238

IUPAC2-chloro-5-fluoro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidin-4-amine
SMILESCC(C)Oc1cc(Nc2nc(Cl)ncc2F)[nH]n1
InChIInChI=1S/C10H11ClFN5O/c1-5(2)18-8-3-7(16-17-8)14-9-6(12)4-13-10(11)15-9/h3-5H,1-2H3,(H2,13,14,15,16,17)
InChIKeyBWZRWBGTUVJKSK-UHFFFAOYSA-N
MW271.68 g/mol
LogP2.52
Rot. Bonds4

About 2-chloro-5-fluoro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidin-4-amine

2-chloro-5-fluoro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidin-4-amine (PubChem CID 87616238) has the molecular formula C10H11ClFN5O and a molecular weight of 271.68 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidin-4-amine
PubChem CID87616238
Molecular FormulaC10H11ClFN5O
Molecular Weight271.68 g/mol
Exact Mass271.06
IUPAC Name2-chloro-5-fluoro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidin-4-amine
SMILESCC(C)Oc1cc(Nc2nc(Cl)ncc2F)[nH]n1
InChIInChI=1S/C10H11ClFN5O/c1-5(2)18-8-3-7(16-17-8)14-9-6(12)4-13-10(11)15-9/h3-5H,1-2H3,(H2,13,14,15,16,17)
InChIKeyBWZRWBGTUVJKSK-UHFFFAOYSA-N
XLogP2.52
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.68
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidin-4-amine (CID 87616238) is 2-chloro-5-fluoro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidin-4-amine is CC(C)Oc1cc(Nc2nc(Cl)ncc2F)[nH]n1.
What is the InChIKey of 2-chloro-5-fluoro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidin-4-amine?
The InChIKey is BWZRWBGTUVJKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN5O/c1-5(2)18-8-3-7(16-17-8)14-9-6(12)4-13-10(11)15-9/h3-5H,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 2-chloro-5-fluoro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidin-4-amine?
2-chloro-5-fluoro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidin-4-amine has a molecular weight of 271.68 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 87616238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).