4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one

C11H17N3O4 — CID 136675574

IUPAC4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(O)CCOC2C)nc[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-7-11(16,3-4-18-7)5-12-9-8(17-2)10(15)14-6-13-9/h6-7,16H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyULJAEILXBFLFRJ-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.27
Rot. Bonds4

About 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one

4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136675574) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136675574
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(O)CCOC2C)nc[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-7-11(16,3-4-18-7)5-12-9-8(17-2)10(15)14-6-13-9/h6-7,16H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyULJAEILXBFLFRJ-UHFFFAOYSA-N
XLogP-0.27
TPSA96.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-hydroxyoxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136675564
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675570
5-bromo-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675571
5-amino-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675575
5-chloro-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675577
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136675579
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136864249
5-methoxy-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136976943
4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136981162
4-[(3-hydroxy-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137011792
4-[(4-hydroxyoxan-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 137016578
5-methoxy-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 137017317

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136675574) is 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NCC2(O)CCOC2C)nc[nH]c1=O.
What is the InChIKey of 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is ULJAEILXBFLFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-7-11(16,3-4-18-7)5-12-9-8(17-2)10(15)14-6-13-9/h6-7,16H,3-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 255.27 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136675574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).