4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-amine

C9H8ClN3S — CID 82473516

IUPAC4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-amine
SMILESCc1ncnc(-c2ccc(Cl)s2)c1N
InChIInChI=1S/C9H8ClN3S/c1-5-8(11)9(13-4-12-5)6-2-3-7(10)14-6/h2-4H,11H2,1H3
InChIKeyRICSXCGKSZZDSY-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.75
Rot. Bonds1

About 4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-amine

4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-amine (PubChem CID 82473516) has the molecular formula C9H8ClN3S and a molecular weight of 225.70 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-amine
PubChem CID82473516
Molecular FormulaC9H8ClN3S
Molecular Weight225.70 g/mol
Exact Mass225.01
IUPAC Name4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-amine
SMILESCc1ncnc(-c2ccc(Cl)s2)c1N
InChIInChI=1S/C9H8ClN3S/c1-5-8(11)9(13-4-12-5)6-2-3-7(10)14-6/h2-4H,11H2,1H3
InChIKeyRICSXCGKSZZDSY-UHFFFAOYSA-N
XLogP2.75
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chlorothiophen-2-yl)-4-methylpyrimidin-5-amine
CID 130756455
3-(5-chlorothiophen-2-yl)pyrazine-2,5-diamine
CID 166793488
[2-chloro-4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-yl]phosphane
CID 170346331
2-[4-(5-chlorothiophen-2-yl)-5-methyl-1,3-oxazol-2-yl]ethanamine
CID 82293528
2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole
CID 59009299
5-(5-chlorothiophen-2-yl)-4-methyl-1H-pyrazol-3-amine
CID 62276882
4-(4-cyclohexylphenyl)-6-methylpyrimidin-5-amine
CID 82487360
8-(5-chlorothiophen-2-yl)-7H-purin-6-amine
CID 114608421
4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-amine
CID 82485984
[4-(5-chlorothiophen-2-yl)-1H-imidazol-5-yl]methanamine
CID 82284454
4-(5-chlorothiophen-2-yl)-2-methyl-1,3-thiazole-5-carbaldehyde
CID 82130310
5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine
CID 64983084

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-amine?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-amine (CID 82473516) is 4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-amine.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-amine?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-amine is Cc1ncnc(-c2ccc(Cl)s2)c1N.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-amine?
The InChIKey is RICSXCGKSZZDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S/c1-5-8(11)9(13-4-12-5)6-2-3-7(10)14-6/h2-4H,11H2,1H3.
What are the key properties of 4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-amine?
4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-amine has a molecular weight of 225.70 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-amine is sourced from PubChem (CID 82473516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).