2-amino-4-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one

C9H14N4O2 — CID 136776201

IUPAC2-amino-4-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one
SMILESNc1nc(NC[C@H]2CCCO2)cc(=O)[nH]1
InChIInChI=1S/C9H14N4O2/c10-9-12-7(4-8(14)13-9)11-5-6-2-1-3-15-6/h4,6H,1-3,5H2,(H4,10,11,12,13,14)/t6-/m1/s1
InChIKeyRRGXXWNODAQSAB-ZCFIWIBFSA-N
MW210.24 g/mol
LogP-0.06
Rot. Bonds3

About 2-amino-4-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one

2-amino-4-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one (PubChem CID 136776201) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-amino-4-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one
PubChem CID136776201
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-amino-4-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one
SMILESNc1nc(NC[C@H]2CCCO2)cc(=O)[nH]1
InChIInChI=1S/C9H14N4O2/c10-9-12-7(4-8(14)13-9)11-5-6-2-1-3-15-6/h4,6H,1-3,5H2,(H4,10,11,12,13,14)/t6-/m1/s1
InChIKeyRRGXXWNODAQSAB-ZCFIWIBFSA-N
XLogP-0.06
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one (CID 136776201) is 2-amino-4-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one is Nc1nc(NC[C@H]2CCCO2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one?
The InChIKey is RRGXXWNODAQSAB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-9-12-7(4-8(14)13-9)11-5-6-2-1-3-15-6/h4,6H,1-3,5H2,(H4,10,11,12,13,14)/t6-/m1/s1.
What are the key properties of 2-amino-4-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one?
2-amino-4-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one has a molecular weight of 210.24 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[[(2R)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136776201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).