N,5-dimethyl-6-(2-methylthiophen-3-yl)-2-propan-2-ylpyrimidin-4-amine

C14H19N3S — CID 102838545

IUPACN,5-dimethyl-6-(2-methylthiophen-3-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(-c2ccsc2C)c1C
InChIInChI=1S/C14H19N3S/c1-8(2)13-16-12(9(3)14(15-5)17-13)11-6-7-18-10(11)4/h6-8H,1-5H3,(H,15,16,17)
InChIKeyUGIAUMJXTKWJIC-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.99
Rot. Bonds3

About N,5-dimethyl-6-(2-methylthiophen-3-yl)-2-propan-2-ylpyrimidin-4-amine

N,5-dimethyl-6-(2-methylthiophen-3-yl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 102838545) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N,5-dimethyl-6-(2-methylthiophen-3-yl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-6-(2-methylthiophen-3-yl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID102838545
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN,5-dimethyl-6-(2-methylthiophen-3-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(-c2ccsc2C)c1C
InChIInChI=1S/C14H19N3S/c1-8(2)13-16-12(9(3)14(15-5)17-13)11-6-7-18-10(11)4/h6-8H,1-5H3,(H,15,16,17)
InChIKeyUGIAUMJXTKWJIC-UHFFFAOYSA-N
XLogP3.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-benzothiophen-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 81128376
6-(2-fluorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80975357
6-(2,3-dichlorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80975407
6-N,5-dimethyl-2-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80994262
4-N-(4-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976810
2-tert-butyl-N-ethyl-5-methyl-6-(2-methylthiophen-3-yl)pyrimidin-4-amine
CID 102838645
2-tert-butyl-5-methyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine
CID 102838647
6-ethyl-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 63560963
5-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]pyridine-3-carbonitrile
CID 80976246
4-N-(2-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976899
2,5-dimethyl-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one
CID 136770430
4-(1-benzothiophen-7-yl)-6-chloro-5-methyl-2-propan-2-ylpyrimidine
CID 81148213

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-6-(2-methylthiophen-3-yl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N,5-dimethyl-6-(2-methylthiophen-3-yl)-2-propan-2-ylpyrimidin-4-amine (CID 102838545) is N,5-dimethyl-6-(2-methylthiophen-3-yl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N,5-dimethyl-6-(2-methylthiophen-3-yl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N,5-dimethyl-6-(2-methylthiophen-3-yl)-2-propan-2-ylpyrimidin-4-amine is CNc1nc(C(C)C)nc(-c2ccsc2C)c1C.
What is the InChIKey of N,5-dimethyl-6-(2-methylthiophen-3-yl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is UGIAUMJXTKWJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-8(2)13-16-12(9(3)14(15-5)17-13)11-6-7-18-10(11)4/h6-8H,1-5H3,(H,15,16,17).
What are the key properties of N,5-dimethyl-6-(2-methylthiophen-3-yl)-2-propan-2-ylpyrimidin-4-amine?
N,5-dimethyl-6-(2-methylthiophen-3-yl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 261.39 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-6-(2-methylthiophen-3-yl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 102838545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).