5-chloro-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine

C11H12ClN3OS — CID 80759163

IUPAC5-chloro-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCc2sccc2C)n1
InChIInChI=1S/C11H12ClN3OS/c1-7-3-4-17-9(7)6-13-10-8(12)5-14-11(15-10)16-2/h3-5H,6H2,1-2H3,(H,13,14,15)
InChIKeyRAAGLFUBDUPRJR-UHFFFAOYSA-N
MW269.76 g/mol
LogP3.12
Rot. Bonds4

About 5-chloro-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine

5-chloro-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine (PubChem CID 80759163) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine
PubChem CID80759163
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name5-chloro-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCc2sccc2C)n1
InChIInChI=1S/C11H12ClN3OS/c1-7-3-4-17-9(7)6-13-10-8(12)5-14-11(15-10)16-2/h3-5H,6H2,1-2H3,(H,13,14,15)
InChIKeyRAAGLFUBDUPRJR-UHFFFAOYSA-N
XLogP3.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80711807
5-chloro-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 114956672
5-chloro-2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 80759146
3,5-dichloro-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 112726147
N-[(4-bromothiophen-2-yl)methyl]-5-chloro-2-methoxypyrimidin-4-amine
CID 80758459
5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 80758182
6-methoxy-2-N-[(3-methylthiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80854981
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol
CID 80758347
5-chloro-2-methoxy-N-[(4-methylsulfinylphenyl)methyl]pyrimidin-4-amine
CID 84589328
5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80757838
6-chloro-2-N-[(3-methylthiophen-2-yl)methyl]pyridine-2,3-diamine
CID 115474328
5-chloro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 80746872

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine (CID 80759163) is 5-chloro-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine is COc1ncc(Cl)c(NCc2sccc2C)n1.
What is the InChIKey of 5-chloro-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is RAAGLFUBDUPRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c1-7-3-4-17-9(7)6-13-10-8(12)5-14-11(15-10)16-2/h3-5H,6H2,1-2H3,(H,13,14,15).
What are the key properties of 5-chloro-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine?
5-chloro-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 269.76 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80759163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).