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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Related Compounds

N-[[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]methyl]propan-2-amine
CID 116893210
N-[[5-fluoro-2-(3-methylthiophen-2-yl)phenyl]methyl]propan-2-amine
CID 114078502
N-[(4,6-dimethylpyrimidin-2-yl)methyl]butan-2-amine
CID 130198316
4-chloro-2-[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]-1,3-thiazole
CID 91188517
N-(2-methylpropyl)-4-(3-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 63992614
2-methyl-3-[4-(3-methylthiophen-2-yl)pyrimidin-2-yl]propan-1-amine
CID 116898304
N-methyl-1-[3-(3-methylthiophen-2-yl)-1H-pyrazol-5-yl]methanamine
CID 63990913
N-[[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]methyl]propan-2-amine
CID 116893231
N-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 55130036
N-[2-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 63990888
[2-(3-methylthiophen-2-yl)-4-pyridinyl]hydrazine
CID 102825322
[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]hydrazine
CID 63991302

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).