6-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine

C9H12FN3S — CID 107297717

IUPAC6-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
SMILESFc1cc(NCC2CCSC2)ncn1
InChIInChI=1S/C9H12FN3S/c10-8-3-9(13-6-12-8)11-4-7-1-2-14-5-7/h3,6-7H,1-2,4-5H2,(H,11,12,13)
InChIKeyWEIFLBOGRCSSBA-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.78
Rot. Bonds3

About 6-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine

6-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine (PubChem CID 107297717) has the molecular formula C9H12FN3S and a molecular weight of 213.28 g/mol. Its IUPAC name is 6-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
PubChem CID107297717
Molecular FormulaC9H12FN3S
Molecular Weight213.28 g/mol
Exact Mass213.07
IUPAC Name6-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
SMILESFc1cc(NCC2CCSC2)ncn1
InChIInChI=1S/C9H12FN3S/c10-8-3-9(13-6-12-8)11-4-7-1-2-14-5-7/h3,6-7H,1-2,4-5H2,(H,11,12,13)
InChIKeyWEIFLBOGRCSSBA-UHFFFAOYSA-N
XLogP1.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclobutylmethyl)-6-fluoropyrimidin-4-amine
CID 115416489
3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 115417135
6-fluoro-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 115417210
2-N-(thiolan-3-ylmethyl)pyridine-2,4-diamine
CID 107294970
4-bromo-N-(thiolan-3-ylmethyl)pyridin-2-amine
CID 130692096
6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-4-amine
CID 114156479
4-methyl-2-N-(thiolan-3-ylmethyl)pyridine-2,5-diamine
CID 107294876
5-fluoro-N-(thiolan-3-ylmethyl)pyridin-3-amine
CID 130485396
N-(thiolan-3-ylmethyl)pyrimidin-5-amine
CID 107588267
5-tert-butyl-N-(thiolan-3-ylmethyl)pyridin-2-amine
CID 114011625
2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine
CID 107294936
6-N,2-diethyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine
CID 107298863

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine (CID 107297717) is 6-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine is Fc1cc(NCC2CCSC2)ncn1.
What is the InChIKey of 6-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is WEIFLBOGRCSSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3S/c10-8-3-9(13-6-12-8)11-4-7-1-2-14-5-7/h3,6-7H,1-2,4-5H2,(H,11,12,13).
What are the key properties of 6-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine?
6-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 213.28 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 107297717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).