5-fluoro-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-2-amine

C10H10FN3S — CID 104606225

IUPAC5-fluoro-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-2-amine
SMILESCc1cscc1CNc1ncc(F)cn1
InChIInChI=1S/C10H10FN3S/c1-7-5-15-6-8(7)2-12-10-13-3-9(11)4-14-10/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyFWYBLRPYVBFIQW-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.60
Rot. Bonds3

About 5-fluoro-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-2-amine

5-fluoro-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-2-amine (PubChem CID 104606225) has the molecular formula C10H10FN3S and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-fluoro-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-2-amine
PubChem CID104606225
Molecular FormulaC10H10FN3S
Molecular Weight223.28 g/mol
Exact Mass223.06
IUPAC Name5-fluoro-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-2-amine
SMILESCc1cscc1CNc1ncc(F)cn1
InChIInChI=1S/C10H10FN3S/c1-7-5-15-6-8(7)2-12-10-13-3-9(11)4-14-10/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyFWYBLRPYVBFIQW-UHFFFAOYSA-N
XLogP2.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-hydrazinyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine
CID 80927239
5-chloro-N-[(4-methylthiophen-3-yl)methyl]-1,3-thiazol-2-amine
CID 130670323
5-chloro-2-N-ethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine
CID 80855209
5-fluoro-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 115750019
5-[(4-methylthiophen-3-yl)methylamino]pyridine-2-carbonitrile
CID 115487781
4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine
CID 80851768
N-[(4-methylthiophen-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112638234
4-methyl-N-[(4-methylthiophen-3-yl)methyl]-6-propoxypyrimidin-2-amine
CID 112638235
6-methyl-4-[(4-methylthiophen-3-yl)methylamino]pyridine-3-carboxylic acid
CID 81244511
4-N-[(4-methylthiophen-3-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80855068
N-[(4-methylthiophen-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305049
5-fluoro-N-(naphthalen-1-ylmethyl)pyrimidin-2-amine
CID 112703157

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-2-amine (CID 104606225) is 5-fluoro-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-2-amine is Cc1cscc1CNc1ncc(F)cn1.
What is the InChIKey of 5-fluoro-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-2-amine?
The InChIKey is FWYBLRPYVBFIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S/c1-7-5-15-6-8(7)2-12-10-13-3-9(11)4-14-10/h3-6H,2H2,1H3,(H,12,13,14).
What are the key properties of 5-fluoro-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-2-amine?
5-fluoro-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-2-amine has a molecular weight of 223.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 104606225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).