N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine

C11H15N5OS — CID 80892659

IUPACN-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1ncnc(Sc2nnc(C)o2)c1C(C)C
InChIInChI=1S/C11H15N5OS/c1-6(2)8-9(12-4)13-5-14-10(8)18-11-16-15-7(3)17-11/h5-6H,1-4H3,(H,12,13,14)
InChIKeyIFAIFGNZTGVXGK-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.48
Rot. Bonds4

About N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine

N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80892659) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
PubChem CID80892659
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC NameN-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1ncnc(Sc2nnc(C)o2)c1C(C)C
InChIInChI=1S/C11H15N5OS/c1-6(2)8-9(12-4)13-5-14-10(8)18-11-16-15-7(3)17-11/h5-6H,1-4H3,(H,12,13,14)
InChIKeyIFAIFGNZTGVXGK-UHFFFAOYSA-N
XLogP2.48
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80923681
N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
CID 80891828
N,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80892356
N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine
CID 106928279
N-methyl-5-propan-2-yl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
CID 80894891
N,N-dimethyl-5-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 80882839
N-methyl-5-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80888546
2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole
CID 63732079
6-(cyclopentylmethylsulfanyl)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80889774
6-N-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 106378719
N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
CID 115384440
3-ethyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-2-ol
CID 106288894

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine (CID 80892659) is N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine is CNc1ncnc(Sc2nnc(C)o2)c1C(C)C.
What is the InChIKey of N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is IFAIFGNZTGVXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-6(2)8-9(12-4)13-5-14-10(8)18-11-16-15-7(3)17-11/h5-6H,1-4H3,(H,12,13,14).
What are the key properties of N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine?
N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 265.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80892659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).