N-methyl-5-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine

C12H15N3S2 — CID 80888546

IUPACN-methyl-5-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
SMILESCNc1ncnc(Sc2cccs2)c1C(C)C
InChIInChI=1S/C12H15N3S2/c1-8(2)10-11(13-3)14-7-15-12(10)17-9-5-4-6-16-9/h4-8H,1-3H3,(H,13,14,15)
InChIKeyRYVSYPDCLCPKLJ-UHFFFAOYSA-N
MW265.41 g/mol
LogP3.85
Rot. Bonds4

About N-methyl-5-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine

N-methyl-5-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine (PubChem CID 80888546) has the molecular formula C12H15N3S2 and a molecular weight of 265.41 g/mol. Its IUPAC name is N-methyl-5-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-5-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
PubChem CID80888546
Molecular FormulaC12H15N3S2
Molecular Weight265.41 g/mol
Exact Mass265.07
IUPAC NameN-methyl-5-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
SMILESCNc1ncnc(Sc2cccs2)c1C(C)C
InChIInChI=1S/C12H15N3S2/c1-8(2)10-11(13-3)14-7-15-12(10)17-9-5-4-6-16-9/h4-8H,1-3H3,(H,13,14,15)
InChIKeyRYVSYPDCLCPKLJ-UHFFFAOYSA-N
XLogP3.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-propan-2-yl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
CID 80894891
N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine
CID 106928279
N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
CID 80892659
N,N-dimethyl-5-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 80882839
[6-[(3-bromo-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80929584
6-(cyclopentylmethylsulfanyl)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80889774
N,5-dimethyl-2-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80991399
6-(2-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80888128
N-ethyl-6-(2-fluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine
CID 80884434
5-methyl-2-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80989981
6-[(3-chloro-2-pyridinyl)sulfanyl]-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80888443
1-(2-thiophen-2-ylsulfanylphenyl)ethanamine
CID 43200148

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine?
The IUPAC name of N-methyl-5-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine (CID 80888546) is N-methyl-5-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-5-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-methyl-5-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine is CNc1ncnc(Sc2cccs2)c1C(C)C.
What is the InChIKey of N-methyl-5-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine?
The InChIKey is RYVSYPDCLCPKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S2/c1-8(2)10-11(13-3)14-7-15-12(10)17-9-5-4-6-16-9/h4-8H,1-3H3,(H,13,14,15).
What are the key properties of N-methyl-5-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine?
N-methyl-5-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine has a molecular weight of 265.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80888546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).