5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine

C11H15FN6 — CID 67988919

IUPAC5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCCCn1nccc1Nc1ncc(F)c(NC)n1
InChIInChI=1S/C11H15FN6/c1-3-6-18-9(4-5-15-18)16-11-14-7-8(12)10(13-2)17-11/h4-5,7H,3,6H2,1-2H3,(H2,13,14,16,17)
InChIKeyOMPCHNXRSULYEF-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.01
Rot. Bonds5

About 5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine

5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 67988919) has the molecular formula C11H15FN6 and a molecular weight of 250.28 g/mol. Its IUPAC name is 5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID67988919
Molecular FormulaC11H15FN6
Molecular Weight250.28 g/mol
Exact Mass250.13
IUPAC Name5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCCCn1nccc1Nc1ncc(F)c(NC)n1
InChIInChI=1S/C11H15FN6/c1-3-6-18-9(4-5-15-18)16-11-14-7-8(12)10(13-2)17-11/h4-5,7H,3,6H2,1-2H3,(H2,13,14,16,17)
InChIKeyOMPCHNXRSULYEF-UHFFFAOYSA-N
XLogP2.01
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine (CID 67988919) is 5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine is CCCn1nccc1Nc1ncc(F)c(NC)n1.
What is the InChIKey of 5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is OMPCHNXRSULYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN6/c1-3-6-18-9(4-5-15-18)16-11-14-7-8(12)10(13-2)17-11/h4-5,7H,3,6H2,1-2H3,(H2,13,14,16,17).
What are the key properties of 5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine?
5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 250.28 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-methyl-2-N-(2-propylpyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 67988919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).