2-chloro-5-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine

C10H11ClFN5O — CID 114256238

IUPAC2-chloro-5-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
SMILESCOc1cc(CNc2nc(Cl)ncc2F)nn1C
InChIInChI=1S/C10H11ClFN5O/c1-17-8(18-2)3-6(16-17)4-13-9-7(12)5-14-10(11)15-9/h3,5H,4H2,1-2H3,(H,13,14,15)
InChIKeyFRIKAFXPRXFEFR-UHFFFAOYSA-N
MW271.68 g/mol
LogP1.62
Rot. Bonds4

About 2-chloro-5-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine

2-chloro-5-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine (PubChem CID 114256238) has the molecular formula C10H11ClFN5O and a molecular weight of 271.68 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
PubChem CID114256238
Molecular FormulaC10H11ClFN5O
Molecular Weight271.68 g/mol
Exact Mass271.06
IUPAC Name2-chloro-5-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
SMILESCOc1cc(CNc2nc(Cl)ncc2F)nn1C
InChIInChI=1S/C10H11ClFN5O/c1-17-8(18-2)3-6(16-17)4-13-9-7(12)5-14-10(11)15-9/h3,5H,4H2,1-2H3,(H,13,14,15)
InChIKeyFRIKAFXPRXFEFR-UHFFFAOYSA-N
XLogP1.62
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.68
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine (CID 114256238) is 2-chloro-5-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine is COc1cc(CNc2nc(Cl)ncc2F)nn1C.
What is the InChIKey of 2-chloro-5-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is FRIKAFXPRXFEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN5O/c1-17-8(18-2)3-6(16-17)4-13-9-7(12)5-14-10(11)15-9/h3,5H,4H2,1-2H3,(H,13,14,15).
What are the key properties of 2-chloro-5-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine?
2-chloro-5-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 271.68 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 114256238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).