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

C9H11N5OS — CID 80892356

IUPACN,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCNc1ncnc(Sc2nnc(C)o2)c1C
InChIInChI=1S/C9H11N5OS/c1-5-7(10-3)11-4-12-8(5)16-9-14-13-6(2)15-9/h4H,1-3H3,(H,10,11,12)
InChIKeyCBCANKLBIVOCRR-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.67
Rot. Bonds3

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

N,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine (PubChem CID 80892356) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is N,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine
PubChem CID80892356
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC NameN,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCNc1ncnc(Sc2nnc(C)o2)c1C
InChIInChI=1S/C9H11N5OS/c1-5-7(10-3)11-4-12-8(5)16-9-14-13-6(2)15-9/h4H,1-3H3,(H,10,11,12)
InChIKeyCBCANKLBIVOCRR-UHFFFAOYSA-N
XLogP1.67
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
CID 80892659
[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-(2-methylphenyl)sulfanylpyrimidin-4-amine
CID 80886105
2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole
CID 63732079
6-(4-methoxyphenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
CID 80882227
N,5-dimethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80894498
N-ethyl-2,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80891600
4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine
CID 144810679
6-(3-chlorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
CID 80891996
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,5-dimethylpyrimidin-4-amine
CID 80893668
N,5-dimethyl-6-(4-nitrophenyl)sulfanylpyrimidin-4-amine
CID 80883862

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The IUPAC name of N,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine (CID 80892356) is N,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine.
What is the SMILES notation for N,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The canonical SMILES for N,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine is CNc1ncnc(Sc2nnc(C)o2)c1C.
What is the InChIKey of N,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The InChIKey is CBCANKLBIVOCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-5-7(10-3)11-4-12-8(5)16-9-14-13-6(2)15-9/h4H,1-3H3,(H,10,11,12).
What are the key properties of N,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
N,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine has a molecular weight of 237.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 80892356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).