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

C9H8ClN3S — CID 116976967

IUPAC5-(5-chlorothiophen-2-yl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(-c2ccc(Cl)s2)cn1
InChIInChI=1S/C9H8ClN3S/c1-11-9-12-4-6(5-13-9)7-2-3-8(10)14-7/h2-5H,1H3,(H,11,12,13)
InChIKeyAZFHJMZZAMQENY-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.90
Rot. Bonds2

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

5-(5-chlorothiophen-2-yl)-N-methylpyrimidin-2-amine (PubChem CID 116976967) has the molecular formula C9H8ClN3S and a molecular weight of 225.70 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-N-methylpyrimidin-2-amine
PubChem CID116976967
Molecular FormulaC9H8ClN3S
Molecular Weight225.70 g/mol
Exact Mass225.01
IUPAC Name5-(5-chlorothiophen-2-yl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(-c2ccc(Cl)s2)cn1
InChIInChI=1S/C9H8ClN3S/c1-11-9-12-4-6(5-13-9)7-2-3-8(10)14-7/h2-5H,1H3,(H,11,12,13)
InChIKeyAZFHJMZZAMQENY-UHFFFAOYSA-N
XLogP2.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-methylpyrimidin-2-amine;dihydrochloride
CID 175309566
5-(5-chloro-2-fluorophenyl)-N-methylpyrimidin-2-amine
CID 116977013
4-(5-chlorothiophen-2-yl)-1H-pyrazole
CID 901421
2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole
CID 59009299
4-(5-chlorothiophen-2-yl)-N-methyl-1,3-oxazol-2-amine
CID 116832484
2-chloro-5-(5-chlorothiophen-2-yl)-1-propan-2-ylimidazole
CID 117260050
4-bromo-N-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]-2,6-dimethylbenzenesulfonamide
CID 166351130
5-(5-chlorothiophen-2-yl)-2-methyl-1-oxidopyridin-1-ium
CID 70112591
5-chloro-2-(5-chlorothiophen-2-yl)-1,3-oxazole
CID 117258864
5-(4-methoxyphenyl)-N-methylpyrimidin-2-amine
CID 116976946
7-(5-chlorothiophen-2-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile
CID 71579334
6-(5-chlorothiophen-2-yl)-2-(methylamino)pyridine-3-carbonitrile
CID 62196141

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-N-methylpyrimidin-2-amine (CID 116976967) is 5-(5-chlorothiophen-2-yl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-N-methylpyrimidin-2-amine is CNc1ncc(-c2ccc(Cl)s2)cn1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-N-methylpyrimidin-2-amine?
The InChIKey is AZFHJMZZAMQENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S/c1-11-9-12-4-6(5-13-9)7-2-3-8(10)14-7/h2-5H,1H3,(H,11,12,13).
What are the key properties of 5-(5-chlorothiophen-2-yl)-N-methylpyrimidin-2-amine?
5-(5-chlorothiophen-2-yl)-N-methylpyrimidin-2-amine has a molecular weight of 225.70 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 116976967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).