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

C10H10FN3S — CID 115750019

IUPAC5-fluoro-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine
SMILESCc1ccsc1CNc1ncc(F)cn1
InChIInChI=1S/C10H10FN3S/c1-7-2-3-15-9(7)6-14-10-12-4-8(11)5-13-10/h2-5H,6H2,1H3,(H,12,13,14)
InChIKeyICWQFCGLHGWFQF-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.60
Rot. Bonds3

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

5-fluoro-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine (PubChem CID 115750019) has the molecular formula C10H10FN3S and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-fluoro-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine
PubChem CID115750019
Molecular FormulaC10H10FN3S
Molecular Weight223.28 g/mol
Exact Mass223.06
IUPAC Name5-fluoro-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine
SMILESCc1ccsc1CNc1ncc(F)cn1
InChIInChI=1S/C10H10FN3S/c1-7-2-3-15-9(7)6-14-10-12-4-8(11)5-13-10/h2-5H,6H2,1H3,(H,12,13,14)
InChIKeyICWQFCGLHGWFQF-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-methyl-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 112730229
1-(5-fluoro-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 112583232
2,3,5-trifluoro-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 55119114
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)methanamine
CID 115655831
2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 115749452
5-fluoro-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-2-amine
CID 104606225
3,5-dichloro-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 112726147
4-[(3-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136976380
N-[(3-methylthiophen-2-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204399
1,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine
CID 19626771
5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 79003136
6-fluoro-N-[(3-methylthiophen-2-yl)methyl]-1H-benzimidazol-2-amine
CID 103295035

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine (CID 115750019) is 5-fluoro-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine is Cc1ccsc1CNc1ncc(F)cn1.
What is the InChIKey of 5-fluoro-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine?
The InChIKey is ICWQFCGLHGWFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S/c1-7-2-3-15-9(7)6-14-10-12-4-8(11)5-13-10/h2-5H,6H2,1H3,(H,12,13,14).
What are the key properties of 5-fluoro-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine?
5-fluoro-N-[(3-methylthiophen-2-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-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 115750019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).