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

C12H15N3OS — CID 66327854

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCc2cc(C)c(C)s2)ncn1
InChIInChI=1S/C12H15N3OS/c1-8-4-10(17-9(8)2)6-13-11-5-12(16-3)15-7-14-11/h4-5,7H,6H2,1-3H3,(H,13,14,15)
InChIKeyNZZPHNAHXNPMST-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.78
Rot. Bonds4

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

N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methoxypyrimidin-4-amine (PubChem CID 66327854) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-6-methoxypyrimidin-4-amine
PubChem CID66327854
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCc2cc(C)c(C)s2)ncn1
InChIInChI=1S/C12H15N3OS/c1-8-4-10(17-9(8)2)6-13-11-5-12(16-3)15-7-14-11/h4-5,7H,6H2,1-3H3,(H,13,14,15)
InChIKeyNZZPHNAHXNPMST-UHFFFAOYSA-N
XLogP2.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(6-methoxypyrimidin-4-yl)-2-methylpropane-1,2-diamine
CID 115303807
6-[(4,5-dimethylthiophen-2-yl)methylamino]pyridine-3-carbonitrile
CID 65243809
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 66325776
5-bromo-4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 114072420
N-[(3,4-difluorophenyl)methyl]-6-methoxypyrimidin-4-amine
CID 66327229
N-[(4,5-dimethylthiophen-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 65245675
N'-(6-methoxypyrimidin-4-yl)-2,2-dimethylpropane-1,3-diamine
CID 115366138
N-(4-chlorobutyl)-6-methoxypyrimidin-4-amine
CID 106845025
N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine
CID 66318519
N-[(3-bromophenyl)methyl]-6-methoxypyrimidin-4-amine
CID 66327634
4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80931350
N-(6-chlorohexyl)-6-methoxypyrimidin-4-amine
CID 107846090

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methoxypyrimidin-4-amine (CID 66327854) is N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methoxypyrimidin-4-amine is COc1cc(NCc2cc(C)c(C)s2)ncn1.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methoxypyrimidin-4-amine?
The InChIKey is NZZPHNAHXNPMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-4-10(17-9(8)2)6-13-11-5-12(16-3)15-7-14-11/h4-5,7H,6H2,1-3H3,(H,13,14,15).
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methoxypyrimidin-4-amine?
N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methoxypyrimidin-4-amine has a molecular weight of 249.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 66327854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).