3-[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol

C14H25N3OS — CID 80994978

IUPAC3-[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
SMILESCNc1nc(C(C)(C)C)nc(SCC(C)CO)c1C
InChIInChI=1S/C14H25N3OS/c1-9(7-18)8-19-12-10(2)11(15-6)16-13(17-12)14(3,4)5/h9,18H,7-8H2,1-6H3,(H,15,16,17)
InChIKeyBYZZBBKYONXKNU-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.84
Rot. Bonds5

About 3-[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol

3-[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol (PubChem CID 80994978) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
PubChem CID80994978
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name3-[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
SMILESCNc1nc(C(C)(C)C)nc(SCC(C)CO)c1C
InChIInChI=1S/C14H25N3OS/c1-9(7-18)8-19-12-10(2)11(15-6)16-13(17-12)14(3,4)5/h9,18H,7-8H2,1-6H3,(H,15,16,17)
InChIKeyBYZZBBKYONXKNU-UHFFFAOYSA-N
XLogP2.84
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-3-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylpropan-1-ol
CID 80995863
methyl 2-[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanylacetate
CID 80991435
2-tert-butyl-6-N,5-dimethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80983553
3-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80996563
2-tert-butyl-6-(furan-2-ylmethylsulfanyl)-N,5-dimethylpyrimidin-4-amine
CID 80991282
6-butan-2-yloxy-2-tert-butyl-N,5-dimethylpyrimidin-4-amine
CID 80988606
3-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80993315
2-tert-butyl-4-N-[2-(dimethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80982434
2-tert-butyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80989428
2-tert-butyl-N,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 106928408
2-tert-butyl-6-(2,2-difluoroethoxy)-N,5-dimethylpyrimidin-4-amine
CID 82010167
2-tert-butyl-N,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80990005

Frequently Asked Questions

What is the IUPAC name of 3-[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 3-[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol (CID 80994978) is 3-[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 3-[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol is CNc1nc(C(C)(C)C)nc(SCC(C)CO)c1C.
What is the InChIKey of 3-[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol?
The InChIKey is BYZZBBKYONXKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-9(7-18)8-19-12-10(2)11(15-6)16-13(17-12)14(3,4)5/h9,18H,7-8H2,1-6H3,(H,15,16,17).
What are the key properties of 3-[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol?
3-[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol has a molecular weight of 283.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 80994978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).