5-fluoro-N-(thian-4-yl)pyrimidin-2-amine

C9H12FN3S — CID 115750063

IUPAC5-fluoro-N-(thian-4-yl)pyrimidin-2-amine
SMILESFc1cnc(NC2CCSCC2)nc1
InChIInChI=1S/C9H12FN3S/c10-7-5-11-9(12-6-7)13-8-1-3-14-4-2-8/h5-6,8H,1-4H2,(H,11,12,13)
InChIKeyBMOJDPZDHVCOIZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.92
Rot. Bonds2

About 5-fluoro-N-(thian-4-yl)pyrimidin-2-amine

5-fluoro-N-(thian-4-yl)pyrimidin-2-amine (PubChem CID 115750063) has the molecular formula C9H12FN3S and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-fluoro-N-(thian-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(thian-4-yl)pyrimidin-2-amine
PubChem CID115750063
Molecular FormulaC9H12FN3S
Molecular Weight213.28 g/mol
Exact Mass213.07
IUPAC Name5-fluoro-N-(thian-4-yl)pyrimidin-2-amine
SMILESFc1cnc(NC2CCSCC2)nc1
InChIInChI=1S/C9H12FN3S/c10-7-5-11-9(12-6-7)13-8-1-3-14-4-2-8/h5-6,8H,1-4H2,(H,11,12,13)
InChIKeyBMOJDPZDHVCOIZ-UHFFFAOYSA-N
XLogP1.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N~2~-[2-(cyclohexylthio)ethyl]-5-fluoro-N~4~,N~4~-dimethylpyrimidine-2,4-diamine
CID 72845303
N-[(1,1-dioxothian-4-yl)methyl]-5-fluoropyrimidin-2-amine
CID 75496379
N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoropyrimidin-2-amine
CID 164634267
5-Fluoro-N-isopropylpyrimidin-2-amine
CID 23461723
N-Cyclopropyl-5-fluoropyrimidin-2-amine
CID 53385550
(S)-2-chloro-N-(3,3-dimethyl-1-(methylthio)butan-2-yl)-5-fluoropyrimidin-4-amine
CID 86714753
2-chloro-N-(3,3-dimethyl-4-methylsulfanylbutan-2-yl)-5-fluoropyrimidin-4-amine
CID 89401826
2-chloro-N-(3,3-dimethyl-1-methylsulfanylbutan-2-yl)-5-fluoropyrimidin-4-amine
CID 118112317
N-(1-butylsulfanyl-3,3-dimethylbutan-2-yl)-2-chloro-5-fluoropyrimidin-4-amine
CID 123620529
N-[(2S)-1-butylsulfanyl-3,3-dimethylbutan-2-yl]-2-chloro-5-fluoropyrimidin-4-amine
CID 144524204
N-[(5-fluoropyrimidin-2-yl)methyl-dimethyl-lambda4-sulfanyl]methanamine
CID 153559778
N-[(2R)-butan-2-yl]-5-fluoropyrimidin-2-amine
CID 167134970

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(thian-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-(thian-4-yl)pyrimidin-2-amine (CID 115750063) is 5-fluoro-N-(thian-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-(thian-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-(thian-4-yl)pyrimidin-2-amine is Fc1cnc(NC2CCSCC2)nc1.
What is the InChIKey of 5-fluoro-N-(thian-4-yl)pyrimidin-2-amine?
The InChIKey is BMOJDPZDHVCOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3S/c10-7-5-11-9(12-6-7)13-8-1-3-14-4-2-8/h5-6,8H,1-4H2,(H,11,12,13).
What are the key properties of 5-fluoro-N-(thian-4-yl)pyrimidin-2-amine?
5-fluoro-N-(thian-4-yl)pyrimidin-2-amine has a molecular weight of 213.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(thian-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 115750063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).