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

C9H8ClN3S — CID 130756455

IUPAC2-(5-chlorothiophen-2-yl)-4-methylpyrimidin-5-amine
SMILESCc1nc(-c2ccc(Cl)s2)ncc1N
InChIInChI=1S/C9H8ClN3S/c1-5-6(11)4-12-9(13-5)7-2-3-8(10)14-7/h2-4H,11H2,1H3
InChIKeySSCCVKFGCMNQPV-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.75
Rot. Bonds1

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

2-(5-chlorothiophen-2-yl)-4-methylpyrimidin-5-amine (PubChem CID 130756455) has the molecular formula C9H8ClN3S and a molecular weight of 225.70 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-4-methylpyrimidin-5-amine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-4-methylpyrimidin-5-amine
PubChem CID130756455
Molecular FormulaC9H8ClN3S
Molecular Weight225.70 g/mol
Exact Mass225.01
IUPAC Name2-(5-chlorothiophen-2-yl)-4-methylpyrimidin-5-amine
SMILESCc1nc(-c2ccc(Cl)s2)ncc1N
InChIInChI=1S/C9H8ClN3S/c1-5-6(11)4-12-9(13-5)7-2-3-8(10)14-7/h2-4H,11H2,1H3
InChIKeySSCCVKFGCMNQPV-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

4-methyl-2-(5-methylthiophen-2-yl)pyrimidin-5-amine
CID 130756454
2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole
CID 59009299
4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-amine
CID 82473516
5-bromo-2-(5-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine
CID 66295486
5-chloro-3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazole
CID 60984120
3-(5-chlorothiophen-2-yl)pyrazine-2,5-diamine
CID 166793488
[2-(5-chlorothiophen-2-yl)pyrimidin-5-yl]methanol
CID 131160800
5-bromo-2-(5-chlorothiophen-2-yl)-N-propylpyrimidin-4-amine
CID 66297613
1-[3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081208
[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 82085986
5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine
CID 64983084
1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116868195

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-4-methylpyrimidin-5-amine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-4-methylpyrimidin-5-amine (CID 130756455) is 2-(5-chlorothiophen-2-yl)-4-methylpyrimidin-5-amine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-4-methylpyrimidin-5-amine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-4-methylpyrimidin-5-amine is Cc1nc(-c2ccc(Cl)s2)ncc1N.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-4-methylpyrimidin-5-amine?
The InChIKey is SSCCVKFGCMNQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S/c1-5-6(11)4-12-9(13-5)7-2-3-8(10)14-7/h2-4H,11H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-4-methylpyrimidin-5-amine?
2-(5-chlorothiophen-2-yl)-4-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 2-(5-chlorothiophen-2-yl)-4-methylpyrimidin-5-amine is sourced from PubChem (CID 130756455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).