5-fluoro-N-propan-2-ylpyrimidin-2-amine

C7H10FN3 — CID 23461723

IUPAC5-fluoro-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1ncc(F)cn1
InChIInChI=1S/C7H10FN3/c1-5(2)11-7-9-3-6(8)4-10-7/h3-5H,1-2H3,(H,9,10,11)
InChIKeyXBTFODSSIVKQTO-UHFFFAOYSA-N
MW155.18 g/mol
LogP1.44
Rot. Bonds2

About 5-fluoro-N-propan-2-ylpyrimidin-2-amine

5-fluoro-N-propan-2-ylpyrimidin-2-amine (PubChem CID 23461723) has the molecular formula C7H10FN3 and a molecular weight of 155.18 g/mol. Its IUPAC name is 5-fluoro-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-propan-2-ylpyrimidin-2-amine
PubChem CID23461723
Molecular FormulaC7H10FN3
Molecular Weight155.18 g/mol
Exact Mass155.09
IUPAC Name5-fluoro-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1ncc(F)cn1
InChIInChI=1S/C7H10FN3/c1-5(2)11-7-9-3-6(8)4-10-7/h3-5H,1-2H3,(H,9,10,11)
InChIKeyXBTFODSSIVKQTO-UHFFFAOYSA-N
XLogP1.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-Methylethyl)-2-pyrimidinamine
CID 71169
N-methylpyrimidin-2-amine
CID 265776
5-Fluoropyrimidine
CID 69605
2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 3573094
2-Amino-5-iodopyrimidine
CID 241102
5-Fluoro-2-(piperazin-1-yl)pyrimidine
CID 10058158
2-Chloro-5-fluoropyrimidin-4-amine
CID 254372
N-allyl-N-(2-pyrimidinyl)amine
CID 3281441
N-ethylpyrimidin-2-amine
CID 12692691
N-propylpyrimidin-2-amine
CID 21642342
5-Fluoro-2-hydrazinylpyrimidine
CID 13590469
N-(3-aminopropyl)pyrimidin-2-amine
CID 14397405

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-propan-2-ylpyrimidin-2-amine (CID 23461723) is 5-fluoro-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-propan-2-ylpyrimidin-2-amine is CC(C)Nc1ncc(F)cn1.
What is the InChIKey of 5-fluoro-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is XBTFODSSIVKQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3/c1-5(2)11-7-9-3-6(8)4-10-7/h3-5H,1-2H3,(H,9,10,11).
What are the key properties of 5-fluoro-N-propan-2-ylpyrimidin-2-amine?
5-fluoro-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 155.18 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 23461723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).