4-[[4-(hydroxymethyl)oxan-4-yl]amino]-5-methoxy-1H-pyrimidin-6-one

C11H17N3O4 — CID 137003319

IUPAC4-[[4-(hydroxymethyl)oxan-4-yl]amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC2(CO)CCOCC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-17-8-9(12-7-13-10(8)16)14-11(6-15)2-4-18-5-3-11/h7,15H,2-6H2,1H3,(H2,12,13,14,16)
InChIKeyUQBCEHOOTYEHCV-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.27
Rot. Bonds4

About 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-5-methoxy-1H-pyrimidin-6-one

4-[[4-(hydroxymethyl)oxan-4-yl]amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 137003319) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[4-(hydroxymethyl)oxan-4-yl]amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID137003319
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name4-[[4-(hydroxymethyl)oxan-4-yl]amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC2(CO)CCOCC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-17-8-9(12-7-13-10(8)16)14-11(6-15)2-4-18-5-3-11/h7,15H,2-6H2,1H3,(H2,12,13,14,16)
InChIKeyUQBCEHOOTYEHCV-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

Analyze 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-5-methoxy-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136730476
4-[[4-(hydroxymethyl)oxan-4-yl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136730477
4-[(1-hydroxy-4-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136847964
4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136847972
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136849670
4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136901117
4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136938548
4-[(2,3-dimethyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136948171
4-[3-(hydroxymethyl)pentan-3-ylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136975426
4-[[1-(hydroxymethyl)cyclohexyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136975430
4-[(1-hydroxy-2-methylbutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136975987
4-[(2-ethyl-4-hydroxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136976423

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-5-methoxy-1H-pyrimidin-6-one (CID 137003319) is 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NC2(CO)CCOCC2)nc[nH]c1=O.
What is the InChIKey of 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is UQBCEHOOTYEHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-17-8-9(12-7-13-10(8)16)14-11(6-15)2-4-18-5-3-11/h7,15H,2-6H2,1H3,(H2,12,13,14,16).
What are the key properties of 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-5-methoxy-1H-pyrimidin-6-one?
4-[[4-(hydroxymethyl)oxan-4-yl]amino]-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-[[4-(hydroxymethyl)oxan-4-yl]amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 137003319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).