5-fluoro-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine

C9H11FN6 — CID 80808338

IUPAC5-fluoro-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(F)c(NCCn2cccn2)n1
InChIInChI=1S/C9H11FN6/c10-7-6-13-9(11)15-8(7)12-3-5-16-4-1-2-14-16/h1-2,4,6H,3,5H2,(H3,11,12,13,15)
InChIKeyCSRMOTKBPLOUMA-UHFFFAOYSA-N
MW222.23 g/mol
LogP0.51
Rot. Bonds4

About 5-fluoro-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine

5-fluoro-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine (PubChem CID 80808338) has the molecular formula C9H11FN6 and a molecular weight of 222.23 g/mol. Its IUPAC name is 5-fluoro-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
PubChem CID80808338
Molecular FormulaC9H11FN6
Molecular Weight222.23 g/mol
Exact Mass222.10
IUPAC Name5-fluoro-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(F)c(NCCn2cccn2)n1
InChIInChI=1S/C9H11FN6/c10-7-6-13-9(11)15-8(7)12-3-5-16-4-1-2-14-16/h1-2,4,6H,3,5H2,(H3,11,12,13,15)
InChIKeyCSRMOTKBPLOUMA-UHFFFAOYSA-N
XLogP0.51
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-3-fluoro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 104918929
5-fluoro-4-N-(4-imidazol-1-ylbutyl)pyrimidine-2,4-diamine
CID 80819497
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide
CID 80787091
5-fluoro-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80828101
3,5-dichloro-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 102756813
4-N-[3-(diethylamino)propyl]-5-fluoropyrimidine-2,4-diamine
CID 80777648
3-bromo-4-methyl-2-N-(2-pyrazol-1-ylethyl)pyridine-2,5-diamine
CID 113420419
5-fluoro-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine
CID 61459841
2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 115978219
5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 80771545
5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-carbonitrile
CID 54951788
6-ethyl-5-fluoro-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine
CID 103867495

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine (CID 80808338) is 5-fluoro-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine is Nc1ncc(F)c(NCCn2cccn2)n1.
What is the InChIKey of 5-fluoro-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is CSRMOTKBPLOUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN6/c10-7-6-13-9(11)15-8(7)12-3-5-16-4-1-2-14-16/h1-2,4,6H,3,5H2,(H3,11,12,13,15).
What are the key properties of 5-fluoro-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine?
5-fluoro-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 222.23 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80808338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).