2-methyl-3-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylpropan-1-ol

C13H23N3OS — CID 80995863

IUPAC2-methyl-3-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylpropan-1-ol
SMILESCNc1nc(C(C)C)nc(SCC(C)CO)c1C
InChIInChI=1S/C13H23N3OS/c1-8(2)11-15-12(14-5)10(4)13(16-11)18-7-9(3)6-17/h8-9,17H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyMZRDPKSBUAQMGV-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.67
Rot. Bonds6

About 2-methyl-3-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylpropan-1-ol

2-methyl-3-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylpropan-1-ol (PubChem CID 80995863) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-methyl-3-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylpropan-1-ol
PubChem CID80995863
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name2-methyl-3-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylpropan-1-ol
SMILESCNc1nc(C(C)C)nc(SCC(C)CO)c1C
InChIInChI=1S/C13H23N3OS/c1-8(2)11-15-12(14-5)10(4)13(16-11)18-7-9(3)6-17/h8-9,17H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyMZRDPKSBUAQMGV-UHFFFAOYSA-N
XLogP2.67
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80996563
3-[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
CID 80994978
N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 106497697
6-ethyl-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 63560963
2,2-dimethyl-3-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 115366534
4-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]pentan-1-ol
CID 80992319
2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethanol
CID 80980902
N,5-dimethyl-6-(3-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80991106
4-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]butan-2-ol
CID 80992534
4-N-(2-methoxypropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 102701807
3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80980092
2-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]acetamide
CID 80981186

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylpropan-1-ol?
The IUPAC name of 2-methyl-3-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylpropan-1-ol (CID 80995863) is 2-methyl-3-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylpropan-1-ol.
What is the SMILES notation for 2-methyl-3-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylpropan-1-ol?
The canonical SMILES for 2-methyl-3-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylpropan-1-ol is CNc1nc(C(C)C)nc(SCC(C)CO)c1C.
What is the InChIKey of 2-methyl-3-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylpropan-1-ol?
The InChIKey is MZRDPKSBUAQMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-8(2)11-15-12(14-5)10(4)13(16-11)18-7-9(3)6-17/h8-9,17H,6-7H2,1-5H3,(H,14,15,16).
What are the key properties of 2-methyl-3-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylpropan-1-ol?
2-methyl-3-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylpropan-1-ol has a molecular weight of 269.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylpropan-1-ol is sourced from PubChem (CID 80995863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).