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

C9H14N4O2 — CID 136865193

IUPAC4-amino-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(NC[C@@H]2CCCO2)n1
InChIInChI=1S/C9H14N4O2/c10-7-4-8(14)13-9(12-7)11-5-6-2-1-3-15-6/h4,6H,1-3,5H2,(H4,10,11,12,13,14)/t6-/m0/s1
InChIKeyMVITXSFWYBMAFU-LURJTMIESA-N
MW210.24 g/mol
LogP-0.06
Rot. Bonds3

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

4-amino-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one (PubChem CID 136865193) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-amino-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one
PubChem CID136865193
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name4-amino-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(NC[C@@H]2CCCO2)n1
InChIInChI=1S/C9H14N4O2/c10-7-4-8(14)13-9(12-7)11-5-6-2-1-3-15-6/h4,6H,1-3,5H2,(H4,10,11,12,13,14)/t6-/m0/s1
InChIKeyMVITXSFWYBMAFU-LURJTMIESA-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 4-amino-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one (CID 136865193) is 4-amino-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one is Nc1cc(=O)[nH]c(NC[C@@H]2CCCO2)n1.
What is the InChIKey of 4-amino-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one?
The InChIKey is MVITXSFWYBMAFU-LURJTMIESA-N. The full InChI is InChI=1S/C9H14N4O2/c10-7-4-8(14)13-9(12-7)11-5-6-2-1-3-15-6/h4,6H,1-3,5H2,(H4,10,11,12,13,14)/t6-/m0/s1.
What are the key properties of 4-amino-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one?
4-amino-2-[[(2S)-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 4-amino-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136865193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).