2-amino-4-[(3S)-oxolan-3-yl]oxypyrimidine-5-carbonitrile

C9H10N4O2 — CID 118036555

IUPAC2-amino-4-[(3S)-oxolan-3-yl]oxypyrimidine-5-carbonitrile
SMILESN#Cc1cnc(N)nc1O[C@H]1CCOC1
InChIInChI=1S/C9H10N4O2/c10-3-6-4-12-9(11)13-8(6)15-7-1-2-14-5-7/h4,7H,1-2,5H2,(H2,11,12,13)/t7-/m0/s1
InChIKeyDYBBGZCJHXJEFY-ZETCQYMHSA-N
MW206.20 g/mol
LogP0.10
Rot. Bonds2

About 2-amino-4-[(3S)-oxolan-3-yl]oxypyrimidine-5-carbonitrile

2-amino-4-[(3S)-oxolan-3-yl]oxypyrimidine-5-carbonitrile (PubChem CID 118036555) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-amino-4-[(3S)-oxolan-3-yl]oxypyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[(3S)-oxolan-3-yl]oxypyrimidine-5-carbonitrile
PubChem CID118036555
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name2-amino-4-[(3S)-oxolan-3-yl]oxypyrimidine-5-carbonitrile
SMILESN#Cc1cnc(N)nc1O[C@H]1CCOC1
InChIInChI=1S/C9H10N4O2/c10-3-6-4-12-9(11)13-8(6)15-7-1-2-14-5-7/h4,7H,1-2,5H2,(H2,11,12,13)/t7-/m0/s1
InChIKeyDYBBGZCJHXJEFY-ZETCQYMHSA-N
XLogP0.10
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(3S)-oxolan-3-yl]oxypyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-[(3S)-oxolan-3-yl]oxypyrimidine-5-carbonitrile (CID 118036555) is 2-amino-4-[(3S)-oxolan-3-yl]oxypyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-[(3S)-oxolan-3-yl]oxypyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-[(3S)-oxolan-3-yl]oxypyrimidine-5-carbonitrile is N#Cc1cnc(N)nc1O[C@H]1CCOC1.
What is the InChIKey of 2-amino-4-[(3S)-oxolan-3-yl]oxypyrimidine-5-carbonitrile?
The InChIKey is DYBBGZCJHXJEFY-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H10N4O2/c10-3-6-4-12-9(11)13-8(6)15-7-1-2-14-5-7/h4,7H,1-2,5H2,(H2,11,12,13)/t7-/m0/s1.
What are the key properties of 2-amino-4-[(3S)-oxolan-3-yl]oxypyrimidine-5-carbonitrile?
2-amino-4-[(3S)-oxolan-3-yl]oxypyrimidine-5-carbonitrile has a molecular weight of 206.20 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(3S)-oxolan-3-yl]oxypyrimidine-5-carbonitrile is sourced from PubChem (CID 118036555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).