2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylpyrimidin-4-amine

C10H8Cl2FN3S — CID 79080525

IUPAC2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccc(Cl)s1)c1nc(Cl)ncc1F
InChIInChI=1S/C10H8Cl2FN3S/c1-16(5-6-2-3-8(11)17-6)9-7(13)4-14-10(12)15-9/h2-4H,5H2,1H3
InChIKeyKEDONJLASFEYNJ-UHFFFAOYSA-N
MW292.17 g/mol
LogP3.62
Rot. Bonds3

About 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylpyrimidin-4-amine

2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylpyrimidin-4-amine (PubChem CID 79080525) has the molecular formula C10H8Cl2FN3S and a molecular weight of 292.17 g/mol. Its IUPAC name is 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylpyrimidin-4-amine
PubChem CID79080525
Molecular FormulaC10H8Cl2FN3S
Molecular Weight292.17 g/mol
Exact Mass290.98
IUPAC Name2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccc(Cl)s1)c1nc(Cl)ncc1F
InChIInChI=1S/C10H8Cl2FN3S/c1-16(5-6-2-3-8(11)17-6)9-7(13)4-14-10(12)15-9/h2-4H,5H2,1H3
InChIKeyKEDONJLASFEYNJ-UHFFFAOYSA-N
XLogP3.62
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 80799680
2-chloro-5-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine
CID 79081350
5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80799071
N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylquinazolin-4-amine
CID 55853674
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrimidin-4-amine
CID 66340620
5-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpyridin-2-amine
CID 107081351
3-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876765
2-chloro-N-(cyclopentylmethyl)-5-fluoro-N-methylpyrimidin-4-amine
CID 79075360
4-(aminomethyl)-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine
CID 107055274
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80971305
5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80799004
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine
CID 63586888

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylpyrimidin-4-amine (CID 79080525) is 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylpyrimidin-4-amine is CN(Cc1ccc(Cl)s1)c1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylpyrimidin-4-amine?
The InChIKey is KEDONJLASFEYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2FN3S/c1-16(5-6-2-3-8(11)17-6)9-7(13)4-14-10(12)15-9/h2-4H,5H2,1H3.
What are the key properties of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylpyrimidin-4-amine?
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylpyrimidin-4-amine has a molecular weight of 292.17 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylpyrimidin-4-amine is sourced from PubChem (CID 79080525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).