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

C11H16N6S — CID 113431996

IUPACN-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(Sc2ncnn2C)nc(C(C)C)n1
InChIInChI=1S/C11H16N6S/c1-7(2)10-15-8(12-3)5-9(16-10)18-11-13-6-14-17(11)4/h5-7H,1-4H3,(H,12,15,16)
InChIKeyDUHSYWUHZAFORQ-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.92
Rot. Bonds4

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

N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 113431996) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
PubChem CID113431996
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC NameN-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(Sc2ncnn2C)nc(C(C)C)n1
InChIInChI=1S/C11H16N6S/c1-7(2)10-15-8(12-3)5-9(16-10)18-11-13-6-14-17(11)4/h5-7H,1-4H3,(H,12,15,16)
InChIKeyDUHSYWUHZAFORQ-UHFFFAOYSA-N
XLogP1.92
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethyl-N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
CID 104605016
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80963164
3-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 80963523
6-ethylsulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80962306
N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775301
3-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 80963754
6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775300
2-(ethoxymethyl)-N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
CID 104605005
3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 80979774
1-[2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylethanamine
CID 104603306
N-ethyl-1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-pyridinyl]ethanamine
CID 113431753
2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid
CID 104602659

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine (CID 113431996) is N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine is CNc1cc(Sc2ncnn2C)nc(C(C)C)n1.
What is the InChIKey of N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is DUHSYWUHZAFORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-7(2)10-15-8(12-3)5-9(16-10)18-11-13-6-14-17(11)4/h5-7H,1-4H3,(H,12,15,16).
What are the key properties of N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine?
N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 264.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 113431996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).