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

C14H24N4O2S — CID 129336267

IUPAC(2R)-2-methyl-1-methylsulfanyl-3-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]propan-2-ol
SMILESCSC[C@](C)(O)CNc1cc(N[C@@H]2CCCOC2)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)/t11-,14-/m1/s1
InChIKeyJYVPYMGSLXZXMF-BXUZGUMPSA-N
MW312.44 g/mol
LogP1.59
Rot. Bonds7

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

(2R)-2-methyl-1-methylsulfanyl-3-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]propan-2-ol (PubChem CID 129336267) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is (2R)-2-methyl-1-methylsulfanyl-3-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-2-methyl-1-methylsulfanyl-3-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]propan-2-ol
PubChem CID129336267
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name(2R)-2-methyl-1-methylsulfanyl-3-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]propan-2-ol
SMILESCSC[C@](C)(O)CNc1cc(N[C@@H]2CCCOC2)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)/t11-,14-/m1/s1
InChIKeyJYVPYMGSLXZXMF-BXUZGUMPSA-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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-methylsulfanyl-3-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of (2R)-2-methyl-1-methylsulfanyl-3-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]propan-2-ol (CID 129336267) is (2R)-2-methyl-1-methylsulfanyl-3-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for (2R)-2-methyl-1-methylsulfanyl-3-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for (2R)-2-methyl-1-methylsulfanyl-3-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]propan-2-ol is CSC[C@](C)(O)CNc1cc(N[C@@H]2CCCOC2)ncn1.
What is the InChIKey of (2R)-2-methyl-1-methylsulfanyl-3-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is JYVPYMGSLXZXMF-BXUZGUMPSA-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)/t11-,14-/m1/s1.
What are the key properties of (2R)-2-methyl-1-methylsulfanyl-3-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]propan-2-ol?
(2R)-2-methyl-1-methylsulfanyl-3-[[6-[[(3R)-oxan-3-yl]amino]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 (2R)-2-methyl-1-methylsulfanyl-3-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 129336267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).