5-fluoro-4-N-(5-methoxy-1-methylpyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine

C10H13FN6O — CID 114256676

IUPAC5-fluoro-4-N-(5-methoxy-1-methylpyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(Nc2cc(OC)n(C)n2)n1
InChIInChI=1S/C10H13FN6O/c1-12-10-13-5-6(11)9(15-10)14-7-4-8(18-3)17(2)16-7/h4-5H,1-3H3,(H2,12,13,14,15,16)
InChIKeyXXUVYEOQQNAZJU-UHFFFAOYSA-N
MW252.25 g/mol
LogP1.14
Rot. Bonds4

About 5-fluoro-4-N-(5-methoxy-1-methylpyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine

5-fluoro-4-N-(5-methoxy-1-methylpyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 114256676) has the molecular formula C10H13FN6O and a molecular weight of 252.25 g/mol. Its IUPAC name is 5-fluoro-4-N-(5-methoxy-1-methylpyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(5-methoxy-1-methylpyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID114256676
Molecular FormulaC10H13FN6O
Molecular Weight252.25 g/mol
Exact Mass252.11
IUPAC Name5-fluoro-4-N-(5-methoxy-1-methylpyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(Nc2cc(OC)n(C)n2)n1
InChIInChI=1S/C10H13FN6O/c1-12-10-13-5-6(11)9(15-10)14-7-4-8(18-3)17(2)16-7/h4-5H,1-3H3,(H2,12,13,14,15,16)
InChIKeyXXUVYEOQQNAZJU-UHFFFAOYSA-N
XLogP1.14
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(5-methoxy-1-methylpyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(5-methoxy-1-methylpyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine (CID 114256676) is 5-fluoro-4-N-(5-methoxy-1-methylpyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(5-methoxy-1-methylpyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(5-methoxy-1-methylpyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(F)c(Nc2cc(OC)n(C)n2)n1.
What is the InChIKey of 5-fluoro-4-N-(5-methoxy-1-methylpyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is XXUVYEOQQNAZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN6O/c1-12-10-13-5-6(11)9(15-10)14-7-4-8(18-3)17(2)16-7/h4-5H,1-3H3,(H2,12,13,14,15,16).
What are the key properties of 5-fluoro-4-N-(5-methoxy-1-methylpyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine?
5-fluoro-4-N-(5-methoxy-1-methylpyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 252.25 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(5-methoxy-1-methylpyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 114256676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).