5-fluoro-N,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine

C9H10FN3 — CID 130709678

IUPAC5-fluoro-N,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine
SMILESC#CCN(C)c1ncnc(C)c1F
InChIInChI=1S/C9H10FN3/c1-4-5-13(3)9-8(10)7(2)11-6-12-9/h1,6H,5H2,2-3H3
InChIKeyXGXCMZXNZBINSU-UHFFFAOYSA-N
MW179.20 g/mol
LogP0.99
Rot. Bonds2

About 5-fluoro-N,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine

5-fluoro-N,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine (PubChem CID 130709678) has the molecular formula C9H10FN3 and a molecular weight of 179.20 g/mol. Its IUPAC name is 5-fluoro-N,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine
PubChem CID130709678
Molecular FormulaC9H10FN3
Molecular Weight179.20 g/mol
Exact Mass179.09
IUPAC Name5-fluoro-N,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine
SMILESC#CCN(C)c1ncnc(C)c1F
InChIInChI=1S/C9H10FN3/c1-4-5-13(3)9-8(10)7(2)11-6-12-9/h1,6H,5H2,2-3H3
InChIKeyXGXCMZXNZBINSU-UHFFFAOYSA-N
XLogP0.99
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 102809546
N,1-dimethyl-N-prop-2-ynylpyrazol-3-amine
CID 130703218
5-fluoro-2-N-methyl-2-N-prop-2-ynylpyrimidine-2,4-diamine
CID 130593710
[5-[methyl(prop-2-ynyl)amino]pyrazin-2-yl]methanol
CID 107372927
5-fluoro-N,6-dimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine
CID 163344230
5-fluoro-N,6-dimethyl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 155974837
methyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate
CID 103081962
ethyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate
CID 103907749
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
CID 114045714
5-fluoro-N-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-N,6-dimethylpyrimidin-4-amine
CID 163344006
5-(4-fluorophenyl)-N-methyl-N-prop-2-ynyl-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 22037299
5-fluoro-N,6-dimethyl-N-[[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]methyl]pyrimidin-4-amine
CID 163348541

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-N,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine (CID 130709678) is 5-fluoro-N,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine is C#CCN(C)c1ncnc(C)c1F.
What is the InChIKey of 5-fluoro-N,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine?
The InChIKey is XGXCMZXNZBINSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3/c1-4-5-13(3)9-8(10)7(2)11-6-12-9/h1,6H,5H2,2-3H3.
What are the key properties of 5-fluoro-N,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine?
5-fluoro-N,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine has a molecular weight of 179.20 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine is sourced from PubChem (CID 130709678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).