4-amino-2-[(3R,5S)-5-methyl-2-oxooxolan-3-yl]sulfanylpyrimidine-5-carbonitrile

C10H10N4O2S — CID 94210154

IUPAC4-amino-2-[(3R,5S)-5-methyl-2-oxooxolan-3-yl]sulfanylpyrimidine-5-carbonitrile
SMILESC[C@H]1C[C@@H](Sc2ncc(C#N)c(N)n2)C(=O)O1
InChIInChI=1S/C10H10N4O2S/c1-5-2-7(9(15)16-5)17-10-13-4-6(3-11)8(12)14-10/h4-5,7H,2H2,1H3,(H2,12,13,14)/t5-,7+/m0/s1
InChIKeyCGZYLKHNBGIXRY-CAHLUQPWSA-N
MW250.28 g/mol
LogP0.73
Rot. Bonds2

About 4-amino-2-[(3R,5S)-5-methyl-2-oxooxolan-3-yl]sulfanylpyrimidine-5-carbonitrile

4-amino-2-[(3R,5S)-5-methyl-2-oxooxolan-3-yl]sulfanylpyrimidine-5-carbonitrile (PubChem CID 94210154) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 4-amino-2-[(3R,5S)-5-methyl-2-oxooxolan-3-yl]sulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-[(3R,5S)-5-methyl-2-oxooxolan-3-yl]sulfanylpyrimidine-5-carbonitrile
PubChem CID94210154
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name4-amino-2-[(3R,5S)-5-methyl-2-oxooxolan-3-yl]sulfanylpyrimidine-5-carbonitrile
SMILESC[C@H]1C[C@@H](Sc2ncc(C#N)c(N)n2)C(=O)O1
InChIInChI=1S/C10H10N4O2S/c1-5-2-7(9(15)16-5)17-10-13-4-6(3-11)8(12)14-10/h4-5,7H,2H2,1H3,(H2,12,13,14)/t5-,7+/m0/s1
InChIKeyCGZYLKHNBGIXRY-CAHLUQPWSA-N
XLogP0.73
TPSA101.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3R,5S)-5-methyl-2-oxooxolan-3-yl]sulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-[(3R,5S)-5-methyl-2-oxooxolan-3-yl]sulfanylpyrimidine-5-carbonitrile (CID 94210154) is 4-amino-2-[(3R,5S)-5-methyl-2-oxooxolan-3-yl]sulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-[(3R,5S)-5-methyl-2-oxooxolan-3-yl]sulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-[(3R,5S)-5-methyl-2-oxooxolan-3-yl]sulfanylpyrimidine-5-carbonitrile is C[C@H]1C[C@@H](Sc2ncc(C#N)c(N)n2)C(=O)O1.
What is the InChIKey of 4-amino-2-[(3R,5S)-5-methyl-2-oxooxolan-3-yl]sulfanylpyrimidine-5-carbonitrile?
The InChIKey is CGZYLKHNBGIXRY-CAHLUQPWSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-5-2-7(9(15)16-5)17-10-13-4-6(3-11)8(12)14-10/h4-5,7H,2H2,1H3,(H2,12,13,14)/t5-,7+/m0/s1.
What are the key properties of 4-amino-2-[(3R,5S)-5-methyl-2-oxooxolan-3-yl]sulfanylpyrimidine-5-carbonitrile?
4-amino-2-[(3R,5S)-5-methyl-2-oxooxolan-3-yl]sulfanylpyrimidine-5-carbonitrile has a molecular weight of 250.28 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(3R,5S)-5-methyl-2-oxooxolan-3-yl]sulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 94210154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).