4-[(3-hydroxyoxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one

C10H15N3O4 — CID 136675564

IUPAC4-[(3-hydroxyoxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(O)CCOC2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O4/c1-16-7-8(12-6-13-9(7)14)11-4-10(15)2-3-17-5-10/h6,15H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyQZSCUULOOIXLKA-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.66
Rot. Bonds4

About 4-[(3-hydroxyoxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one

4-[(3-hydroxyoxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136675564) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-[(3-hydroxyoxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-hydroxyoxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136675564
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name4-[(3-hydroxyoxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(O)CCOC2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O4/c1-16-7-8(12-6-13-9(7)14)11-4-10(15)2-3-17-5-10/h6,15H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyQZSCUULOOIXLKA-UHFFFAOYSA-N
XLogP-0.66
TPSA96.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxyoxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-hydroxyoxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136675564) is 4-[(3-hydroxyoxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-hydroxyoxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-hydroxyoxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NCC2(O)CCOC2)nc[nH]c1=O.
What is the InChIKey of 4-[(3-hydroxyoxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is QZSCUULOOIXLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-16-7-8(12-6-13-9(7)14)11-4-10(15)2-3-17-5-10/h6,15H,2-5H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-[(3-hydroxyoxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[(3-hydroxyoxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 241.25 g/mol, XLogP of -0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxyoxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136675564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).