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

C10H13N5OS — CID 80654482

IUPACN,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyrimidin-4-amine
SMILESCNc1cc(C)nc(CSc2nnc(C)o2)n1
InChIInChI=1S/C10H13N5OS/c1-6-4-8(11-3)13-9(12-6)5-17-10-15-14-7(2)16-10/h4H,5H2,1-3H3,(H,11,12,13)
InChIKeyWHPXRXLBRRZHRO-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.81
Rot. Bonds4

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

N,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyrimidin-4-amine (PubChem CID 80654482) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is N,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyrimidin-4-amine
PubChem CID80654482
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC NameN,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyrimidin-4-amine
SMILESCNc1cc(C)nc(CSc2nnc(C)o2)n1
InChIInChI=1S/C10H13N5OS/c1-6-4-8(11-3)13-9(12-6)5-17-10-15-14-7(2)16-10/h4H,5H2,1-3H3,(H,11,12,13)
InChIKeyWHPXRXLBRRZHRO-UHFFFAOYSA-N
XLogP1.81
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine
CID 66065128
N,N-dimethyl-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 80653863
2-[(2-chlorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine
CID 66153137
N,6-dimethyl-2-(1,2,4-thiadiazol-5-ylsulfanylmethyl)pyrimidin-4-amine
CID 80655256
2-ethyl-N,6-dimethylpyrimidin-4-amine
CID 62192654
N,6-dimethyl-2-[(2-nitrophenyl)sulfanylmethyl]pyrimidin-4-amine
CID 80654239
2-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 2937782
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]aniline
CID 62254011
N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyridin-2-amine
CID 79239234
4,6-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidin-2-one
CID 80654493
N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazin-2-amine
CID 80891678
[3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 62255617

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyrimidin-4-amine (CID 80654482) is N,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyrimidin-4-amine is CNc1cc(C)nc(CSc2nnc(C)o2)n1.
What is the InChIKey of N,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyrimidin-4-amine?
The InChIKey is WHPXRXLBRRZHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-6-4-8(11-3)13-9(12-6)5-17-10-15-14-7(2)16-10/h4H,5H2,1-3H3,(H,11,12,13).
What are the key properties of N,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyrimidin-4-amine?
N,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyrimidin-4-amine has a molecular weight of 251.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyrimidin-4-amine is sourced from PubChem (CID 80654482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).