6-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylpyrimidin-4-amine

C12H14ClN3S — CID 65245889

IUPAC6-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylpyrimidin-4-amine
SMILESCc1cc(CNc2ncnc(Cl)c2C)sc1C
InChIInChI=1S/C12H14ClN3S/c1-7-4-10(17-9(7)3)5-14-12-8(2)11(13)15-6-16-12/h4,6H,5H2,1-3H3,(H,14,15,16)
InChIKeyGRAKQXNPEJQQPU-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.73
Rot. Bonds3

About 6-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylpyrimidin-4-amine

6-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylpyrimidin-4-amine (PubChem CID 65245889) has the molecular formula C12H14ClN3S and a molecular weight of 267.78 g/mol. Its IUPAC name is 6-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylpyrimidin-4-amine
PubChem CID65245889
Molecular FormulaC12H14ClN3S
Molecular Weight267.78 g/mol
Exact Mass267.06
IUPAC Name6-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylpyrimidin-4-amine
SMILESCc1cc(CNc2ncnc(Cl)c2C)sc1C
InChIInChI=1S/C12H14ClN3S/c1-7-4-10(17-9(7)3)5-14-12-8(2)11(13)15-6-16-12/h4,6H,5H2,1-3H3,(H,14,15,16)
InChIKeyGRAKQXNPEJQQPU-UHFFFAOYSA-N
XLogP3.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 65245310
3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazin-2-amine
CID 65245690
5-bromo-4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 114072420
6-chloro-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 63729925
6-chloro-N-ethyl-5-methylpyrimidin-4-amine
CID 63734594
5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80930673
2-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-7H-purin-6-amine
CID 113442692
6-chloro-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 63729876
3-bromo-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine
CID 79534922
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropyridin-2-amine
CID 65243439
N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methoxypyrimidin-4-amine
CID 66327854
6-chloro-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,5-diamine
CID 63023616

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylpyrimidin-4-amine (CID 65245889) is 6-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylpyrimidin-4-amine is Cc1cc(CNc2ncnc(Cl)c2C)sc1C.
What is the InChIKey of 6-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylpyrimidin-4-amine?
The InChIKey is GRAKQXNPEJQQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c1-7-4-10(17-9(7)3)5-14-12-8(2)11(13)15-6-16-12/h4,6H,5H2,1-3H3,(H,14,15,16).
What are the key properties of 6-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylpyrimidin-4-amine?
6-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylpyrimidin-4-amine has a molecular weight of 267.78 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 65245889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).