N,4,6-trimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine

C13H17N3S — CID 78848600

IUPACN,4,6-trimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(N(C)Cc2sccc2C)n1
InChIInChI=1S/C13H17N3S/c1-9-5-6-17-12(9)8-16(4)13-14-10(2)7-11(3)15-13/h5-7H,8H2,1-4H3
InChIKeyVSQUSLCWZAQEOE-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.10
Rot. Bonds3

About N,4,6-trimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine

N,4,6-trimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine (PubChem CID 78848600) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N,4,6-trimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,4,6-trimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine
PubChem CID78848600
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN,4,6-trimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(N(C)Cc2sccc2C)n1
InChIInChI=1S/C13H17N3S/c1-9-5-6-17-12(9)8-16(4)13-14-10(2)7-11(3)15-13/h5-7H,8H2,1-4H3
InChIKeyVSQUSLCWZAQEOE-UHFFFAOYSA-N
XLogP3.10
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N,4,6-trimethylpyrimidin-2-amine
CID 734467
4-N-methyl-4-N-[(3-methylthiophen-2-yl)methyl]benzene-1,4-diamine
CID 117041305
4-chloro-1-N-methyl-1-N-[(3-methylthiophen-2-yl)methyl]benzene-1,2-diamine
CID 115125246
N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine
CID 56714740
N,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 78845350
N-[(3-fluoro-4-methoxyphenyl)methyl]-N,4,6-trimethylpyrimidin-2-amine
CID 78836350
3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
CID 115216990
2-methyl-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile
CID 115129522
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile
CID 115130337
1,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 115169307
2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]acetonitrile
CID 117044726

Frequently Asked Questions

What is the IUPAC name of N,4,6-trimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine?
The IUPAC name of N,4,6-trimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine (CID 78848600) is N,4,6-trimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N,4,6-trimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for N,4,6-trimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine is Cc1cc(C)nc(N(C)Cc2sccc2C)n1.
What is the InChIKey of N,4,6-trimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine?
The InChIKey is VSQUSLCWZAQEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9-5-6-17-12(9)8-16(4)13-14-10(2)7-11(3)15-13/h5-7H,8H2,1-4H3.
What are the key properties of N,4,6-trimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine?
N,4,6-trimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine has a molecular weight of 247.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,6-trimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 78848600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).