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

C14H19N3S — CID 116893233

IUPACN-[[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]methyl]propan-2-amine
SMILESCc1cc(-c2sccc2C)nc(CNC(C)C)n1
InChIInChI=1S/C14H19N3S/c1-9(2)15-8-13-16-11(4)7-12(17-13)14-10(3)5-6-18-14/h5-7,9,15H,8H2,1-4H3
InChIKeyDIXPMZPEDYXVHW-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.32
Rot. Bonds4

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

N-[[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]methyl]propan-2-amine (PubChem CID 116893233) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]methyl]propan-2-amine
PubChem CID116893233
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]methyl]propan-2-amine
SMILESCc1cc(-c2sccc2C)nc(CNC(C)C)n1
InChIInChI=1S/C14H19N3S/c1-9(2)15-8-13-16-11(4)7-12(17-13)14-10(3)5-6-18-14/h5-7,9,15H,8H2,1-4H3
InChIKeyDIXPMZPEDYXVHW-UHFFFAOYSA-N
XLogP3.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]methyl]propan-2-amine (CID 116893233) is N-[[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]methyl]propan-2-amine is Cc1cc(-c2sccc2C)nc(CNC(C)C)n1.
What is the InChIKey of N-[[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]methyl]propan-2-amine?
The InChIKey is DIXPMZPEDYXVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-9(2)15-8-13-16-11(4)7-12(17-13)14-10(3)5-6-18-14/h5-7,9,15H,8H2,1-4H3.
What are the key properties of N-[[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]methyl]propan-2-amine?
N-[[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]methyl]propan-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 116893233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).