2-N-ethyl-5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine

C12H17FN6 — CID 103012316

IUPAC2-N-ethyl-5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NCCc2ccnn2C)n1
InChIInChI=1S/C12H17FN6/c1-3-14-12-16-8-10(13)11(18-12)15-6-4-9-5-7-17-19(9)2/h5,7-8H,3-4,6H2,1-2H3,(H2,14,15,16,18)
InChIKeyLRVKDKIQTFAKLV-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.44
Rot. Bonds6

About 2-N-ethyl-5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine

2-N-ethyl-5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 103012316) has the molecular formula C12H17FN6 and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-N-ethyl-5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID103012316
Molecular FormulaC12H17FN6
Molecular Weight264.31 g/mol
Exact Mass264.15
IUPAC Name2-N-ethyl-5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NCCc2ccnn2C)n1
InChIInChI=1S/C12H17FN6/c1-3-14-12-16-8-10(13)11(18-12)15-6-4-9-5-7-17-19(9)2/h5,7-8H,3-4,6H2,1-2H3,(H2,14,15,16,18)
InChIKeyLRVKDKIQTFAKLV-UHFFFAOYSA-N
XLogP1.44
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine (CID 103012316) is 2-N-ethyl-5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine is CCNc1ncc(F)c(NCCc2ccnn2C)n1.
What is the InChIKey of 2-N-ethyl-5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is LRVKDKIQTFAKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN6/c1-3-14-12-16-8-10(13)11(18-12)15-6-4-9-5-7-17-19(9)2/h5,7-8H,3-4,6H2,1-2H3,(H2,14,15,16,18).
What are the key properties of 2-N-ethyl-5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine?
2-N-ethyl-5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 264.31 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-fluoro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 103012316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).