2-methyl-1-methylsulfanyl-3-[[6-(oxan-3-ylamino)pyrimidin-4-yl]amino]propan-2-ol

C14H24N4O2S — CID 128992657

IUPAC2-methyl-1-methylsulfanyl-3-[[6-(oxan-3-ylamino)pyrimidin-4-yl]amino]propan-2-ol
SMILESCSCC(C)(O)CNc1cc(NC2CCCOC2)ncn1
InChIInChI=1S/C14H24N4O2S/c1-14(19,9-21-2)8-15-12-6-13(17-10-16-12)18-11-4-3-5-20-7-11/h6,10-11,19H,3-5,7-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyJYVPYMGSLXZXMF-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.59
Rot. Bonds7

About 2-methyl-1-methylsulfanyl-3-[[6-(oxan-3-ylamino)pyrimidin-4-yl]amino]propan-2-ol

2-methyl-1-methylsulfanyl-3-[[6-(oxan-3-ylamino)pyrimidin-4-yl]amino]propan-2-ol (PubChem CID 128992657) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanyl-3-[[6-(oxan-3-ylamino)pyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-methylsulfanyl-3-[[6-(oxan-3-ylamino)pyrimidin-4-yl]amino]propan-2-ol
PubChem CID128992657
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name2-methyl-1-methylsulfanyl-3-[[6-(oxan-3-ylamino)pyrimidin-4-yl]amino]propan-2-ol
SMILESCSCC(C)(O)CNc1cc(NC2CCCOC2)ncn1
InChIInChI=1S/C14H24N4O2S/c1-14(19,9-21-2)8-15-12-6-13(17-10-16-12)18-11-4-3-5-20-7-11/h6,10-11,19H,3-5,7-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyJYVPYMGSLXZXMF-UHFFFAOYSA-N
XLogP1.59
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-methyl-1-methylsulfanyl-3-[[6-(oxan-3-ylamino)pyrimidin-4-yl]amino]propan-2-ol with MolForge

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Related Compounds

(2R)-2-methyl-1-methylsulfanyl-3-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]propan-2-ol
CID 129336267
6-N-(2-methyl-2-methylsulfanylpropyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine
CID 129333149
4-N-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine
CID 129333350
4-N-(oxan-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 129005899
6-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine
CID 129330565
6-methoxy-N-(oxan-3-yl)pyrimidin-4-amine
CID 66327033
6-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine
CID 129337249
6-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-N-[(3S)-oxan-3-yl]pyrimidine-4,6-diamine
CID 129337250
(1R)-2-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 129335231
4-[[[6-[[(3S)-oxan-3-yl]amino]pyrimidin-4-yl]amino]methyl]benzonitrile
CID 129333914
6-tert-butyl-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126724583
6-ethoxy-N-(oxolan-3-yl)pyrimidin-4-amine
CID 80713528

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanyl-3-[[6-(oxan-3-ylamino)pyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-methylsulfanyl-3-[[6-(oxan-3-ylamino)pyrimidin-4-yl]amino]propan-2-ol (CID 128992657) is 2-methyl-1-methylsulfanyl-3-[[6-(oxan-3-ylamino)pyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-methylsulfanyl-3-[[6-(oxan-3-ylamino)pyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-methylsulfanyl-3-[[6-(oxan-3-ylamino)pyrimidin-4-yl]amino]propan-2-ol is CSCC(C)(O)CNc1cc(NC2CCCOC2)ncn1.
What is the InChIKey of 2-methyl-1-methylsulfanyl-3-[[6-(oxan-3-ylamino)pyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is JYVPYMGSLXZXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-14(19,9-21-2)8-15-12-6-13(17-10-16-12)18-11-4-3-5-20-7-11/h6,10-11,19H,3-5,7-9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-methyl-1-methylsulfanyl-3-[[6-(oxan-3-ylamino)pyrimidin-4-yl]amino]propan-2-ol?
2-methyl-1-methylsulfanyl-3-[[6-(oxan-3-ylamino)pyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 312.44 g/mol, XLogP of 1.59, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanyl-3-[[6-(oxan-3-ylamino)pyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 128992657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).