2-methyl-3-[4-(3-methylthiophen-2-yl)pyrimidin-2-yl]propan-1-amine

C13H17N3S — CID 116898304

IUPAC2-methyl-3-[4-(3-methylthiophen-2-yl)pyrimidin-2-yl]propan-1-amine
SMILESCc1ccsc1-c1ccnc(CC(C)CN)n1
InChIInChI=1S/C13H17N3S/c1-9(8-14)7-12-15-5-3-11(16-12)13-10(2)4-6-17-13/h3-6,9H,7-8,14H2,1-2H3
InChIKeyXMGBDCVSOQUKJX-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.65
Rot. Bonds4

About 2-methyl-3-[4-(3-methylthiophen-2-yl)pyrimidin-2-yl]propan-1-amine

2-methyl-3-[4-(3-methylthiophen-2-yl)pyrimidin-2-yl]propan-1-amine (PubChem CID 116898304) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 2-methyl-3-[4-(3-methylthiophen-2-yl)pyrimidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[4-(3-methylthiophen-2-yl)pyrimidin-2-yl]propan-1-amine
PubChem CID116898304
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name2-methyl-3-[4-(3-methylthiophen-2-yl)pyrimidin-2-yl]propan-1-amine
SMILESCc1ccsc1-c1ccnc(CC(C)CN)n1
InChIInChI=1S/C13H17N3S/c1-9(8-14)7-12-15-5-3-11(16-12)13-10(2)4-6-17-13/h3-6,9H,7-8,14H2,1-2H3
InChIKeyXMGBDCVSOQUKJX-UHFFFAOYSA-N
XLogP2.65
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]-2-methylpropan-1-amine
CID 116898266
4-(3-methylthiophen-2-yl)pyrimidin-2-amine
CID 1472776
2-methyl-3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propan-1-amine
CID 116898293
2-methyl-3-[4-(2-methylpropyl)pyrimidin-2-yl]propan-1-amine
CID 116898246
3-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-1-amine
CID 116898247
2-methyl-3-(4-propylpyrimidin-2-yl)propan-1-amine
CID 116898245
2-(methylamino)-2-[4-(3-methylthiophen-2-yl)pyrimidin-2-yl]acetic acid
CID 116903511
4-(3-methylthiophen-2-yl)-2-pyrrol-1-ylpyrimidine
CID 3608256
4-(3-methylthiophen-2-yl)pyrimidine
CID 129068181
2-N-[6-(3-methylthiophen-2-yl)pyridazin-3-yl]propane-1,2-diamine
CID 116970554
1-[4-(3-methylthiophen-2-yl)pyrimidin-2-yl]cyclopropane-1-carbonitrile
CID 116902422
N-[[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]methyl]propan-2-amine
CID 116893233

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(3-methylthiophen-2-yl)pyrimidin-2-yl]propan-1-amine?
The IUPAC name of 2-methyl-3-[4-(3-methylthiophen-2-yl)pyrimidin-2-yl]propan-1-amine (CID 116898304) is 2-methyl-3-[4-(3-methylthiophen-2-yl)pyrimidin-2-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-[4-(3-methylthiophen-2-yl)pyrimidin-2-yl]propan-1-amine?
The canonical SMILES for 2-methyl-3-[4-(3-methylthiophen-2-yl)pyrimidin-2-yl]propan-1-amine is Cc1ccsc1-c1ccnc(CC(C)CN)n1.
What is the InChIKey of 2-methyl-3-[4-(3-methylthiophen-2-yl)pyrimidin-2-yl]propan-1-amine?
The InChIKey is XMGBDCVSOQUKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9(8-14)7-12-15-5-3-11(16-12)13-10(2)4-6-17-13/h3-6,9H,7-8,14H2,1-2H3.
What are the key properties of 2-methyl-3-[4-(3-methylthiophen-2-yl)pyrimidin-2-yl]propan-1-amine?
2-methyl-3-[4-(3-methylthiophen-2-yl)pyrimidin-2-yl]propan-1-amine has a molecular weight of 247.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(3-methylthiophen-2-yl)pyrimidin-2-yl]propan-1-amine is sourced from PubChem (CID 116898304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).