5-fluoro-2-N-prop-2-ynylpyrimidine-2,4-diamine

C7H7FN4 — CID 130593616

IUPAC5-fluoro-2-N-prop-2-ynylpyrimidine-2,4-diamine
SMILESC#CCNc1ncc(F)c(N)n1
InChIInChI=1S/C7H7FN4/c1-2-3-10-7-11-4-5(8)6(9)12-7/h1,4H,3H2,(H3,9,10,11,12)
InChIKeyDLBYFAXVTHMKSI-UHFFFAOYSA-N
MW166.16 g/mol
LogP0.24
Rot. Bonds2

About 5-fluoro-2-N-prop-2-ynylpyrimidine-2,4-diamine

5-fluoro-2-N-prop-2-ynylpyrimidine-2,4-diamine (PubChem CID 130593616) has the molecular formula C7H7FN4 and a molecular weight of 166.16 g/mol. Its IUPAC name is 5-fluoro-2-N-prop-2-ynylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-prop-2-ynylpyrimidine-2,4-diamine
PubChem CID130593616
Molecular FormulaC7H7FN4
Molecular Weight166.16 g/mol
Exact Mass166.07
IUPAC Name5-fluoro-2-N-prop-2-ynylpyrimidine-2,4-diamine
SMILESC#CCNc1ncc(F)c(N)n1
InChIInChI=1S/C7H7FN4/c1-2-3-10-7-11-4-5(8)6(9)12-7/h1,4H,3H2,(H3,9,10,11,12)
InChIKeyDLBYFAXVTHMKSI-UHFFFAOYSA-N
XLogP0.24
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-(prop-2-ynylamino)pyrimidine-5-carbonitrile
CID 155564399
2-(2,2-dimethylhydrazinyl)-5-fluoropyrimidin-4-amine
CID 130593715
5-fluoro-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 83712714
5-fluoro-2-N-methyl-2-N-prop-2-ynylpyrimidine-2,4-diamine
CID 130593710
2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 142726691
5-fluoro-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 83736723
6-chloro-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
CID 118444193
5-bromo-2-N-ethylpyrimidine-2,4-diamine
CID 80797744
5-fluoro-4-(2-methylbut-3-yn-2-yloxy)-N-propylpyrimidin-2-amine
CID 113461420
5-fluoro-2-(2-methylpropoxy)pyrimidin-4-amine
CID 130593776
5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;hydrochloride
CID 141094880
5-fluoro-2-propan-2-ylsulfanylpyrimidin-4-amine
CID 130593820

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-prop-2-ynylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-prop-2-ynylpyrimidine-2,4-diamine (CID 130593616) is 5-fluoro-2-N-prop-2-ynylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-prop-2-ynylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-prop-2-ynylpyrimidine-2,4-diamine is C#CCNc1ncc(F)c(N)n1.
What is the InChIKey of 5-fluoro-2-N-prop-2-ynylpyrimidine-2,4-diamine?
The InChIKey is DLBYFAXVTHMKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN4/c1-2-3-10-7-11-4-5(8)6(9)12-7/h1,4H,3H2,(H3,9,10,11,12).
What are the key properties of 5-fluoro-2-N-prop-2-ynylpyrimidine-2,4-diamine?
5-fluoro-2-N-prop-2-ynylpyrimidine-2,4-diamine has a molecular weight of 166.16 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-prop-2-ynylpyrimidine-2,4-diamine is sourced from PubChem (CID 130593616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).