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

C8H9FN4 — CID 130593710

IUPAC5-fluoro-2-N-methyl-2-N-prop-2-ynylpyrimidine-2,4-diamine
SMILESC#CCN(C)c1ncc(F)c(N)n1
InChIInChI=1S/C8H9FN4/c1-3-4-13(2)8-11-5-6(9)7(10)12-8/h1,5H,4H2,2H3,(H2,10,11,12)
InChIKeyDRCVTJAESZPVAZ-UHFFFAOYSA-N
MW180.19 g/mol
LogP0.27
Rot. Bonds2

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

5-fluoro-2-N-methyl-2-N-prop-2-ynylpyrimidine-2,4-diamine (PubChem CID 130593710) has the molecular formula C8H9FN4 and a molecular weight of 180.19 g/mol. Its IUPAC name is 5-fluoro-2-N-methyl-2-N-prop-2-ynylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-methyl-2-N-prop-2-ynylpyrimidine-2,4-diamine
PubChem CID130593710
Molecular FormulaC8H9FN4
Molecular Weight180.19 g/mol
Exact Mass180.08
IUPAC Name5-fluoro-2-N-methyl-2-N-prop-2-ynylpyrimidine-2,4-diamine
SMILESC#CCN(C)c1ncc(F)c(N)n1
InChIInChI=1S/C8H9FN4/c1-3-4-13(2)8-11-5-6(9)7(10)12-8/h1,5H,4H2,2H3,(H2,10,11,12)
InChIKeyDRCVTJAESZPVAZ-UHFFFAOYSA-N
XLogP0.27
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-methyl-2-N-prop-2-ynylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-methyl-2-N-prop-2-ynylpyrimidine-2,4-diamine (CID 130593710) is 5-fluoro-2-N-methyl-2-N-prop-2-ynylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-methyl-2-N-prop-2-ynylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-methyl-2-N-prop-2-ynylpyrimidine-2,4-diamine is C#CCN(C)c1ncc(F)c(N)n1.
What is the InChIKey of 5-fluoro-2-N-methyl-2-N-prop-2-ynylpyrimidine-2,4-diamine?
The InChIKey is DRCVTJAESZPVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN4/c1-3-4-13(2)8-11-5-6(9)7(10)12-8/h1,5H,4H2,2H3,(H2,10,11,12).
What are the key properties of 5-fluoro-2-N-methyl-2-N-prop-2-ynylpyrimidine-2,4-diamine?
5-fluoro-2-N-methyl-2-N-prop-2-ynylpyrimidine-2,4-diamine has a molecular weight of 180.19 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-methyl-2-N-prop-2-ynylpyrimidine-2,4-diamine is sourced from PubChem (CID 130593710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).