2-N-(2-ethylpyrazol-3-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine

C10H13FN6 — CID 69281704

IUPAC2-N-(2-ethylpyrazol-3-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine
SMILESCCn1nccc1Nc1ncc(F)c(NC)n1
InChIInChI=1S/C10H13FN6/c1-3-17-8(4-5-14-17)15-10-13-6-7(11)9(12-2)16-10/h4-6H,3H2,1-2H3,(H2,12,13,15,16)
InChIKeyDWFWAGRLAPPLOI-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.62
Rot. Bonds4

About 2-N-(2-ethylpyrazol-3-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine

2-N-(2-ethylpyrazol-3-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine (PubChem CID 69281704) has the molecular formula C10H13FN6 and a molecular weight of 236.25 g/mol. Its IUPAC name is 2-N-(2-ethylpyrazol-3-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-ethylpyrazol-3-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine
PubChem CID69281704
Molecular FormulaC10H13FN6
Molecular Weight236.25 g/mol
Exact Mass236.12
IUPAC Name2-N-(2-ethylpyrazol-3-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine
SMILESCCn1nccc1Nc1ncc(F)c(NC)n1
InChIInChI=1S/C10H13FN6/c1-3-17-8(4-5-14-17)15-10-13-6-7(11)9(12-2)16-10/h4-6H,3H2,1-2H3,(H2,12,13,15,16)
InChIKeyDWFWAGRLAPPLOI-UHFFFAOYSA-N
XLogP1.62
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethylpyrazol-3-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-ethylpyrazol-3-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine (CID 69281704) is 2-N-(2-ethylpyrazol-3-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-ethylpyrazol-3-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-ethylpyrazol-3-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine is CCn1nccc1Nc1ncc(F)c(NC)n1.
What is the InChIKey of 2-N-(2-ethylpyrazol-3-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is DWFWAGRLAPPLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN6/c1-3-17-8(4-5-14-17)15-10-13-6-7(11)9(12-2)16-10/h4-6H,3H2,1-2H3,(H2,12,13,15,16).
What are the key properties of 2-N-(2-ethylpyrazol-3-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine?
2-N-(2-ethylpyrazol-3-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 236.25 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethylpyrazol-3-yl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 69281704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).