4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one

C10H15N3O3 — CID 136956949

IUPAC4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2(O)CCOCC2)nc[nH]1
InChIInChI=1S/C10H15N3O3/c14-9-5-8(12-7-13-9)11-6-10(15)1-3-16-4-2-10/h5,7,15H,1-4,6H2,(H2,11,12,13,14)
InChIKeyCBYWLEJDQAXYRE-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.28
Rot. Bonds3

About 4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one

4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136956949) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136956949
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2(O)CCOCC2)nc[nH]1
InChIInChI=1S/C10H15N3O3/c14-9-5-8(12-7-13-9)11-6-10(15)1-3-16-4-2-10/h5,7,15H,1-4,6H2,(H2,11,12,13,14)
InChIKeyCBYWLEJDQAXYRE-UHFFFAOYSA-N
XLogP-0.28
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675559
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675570
4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136730476
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 136864252
4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one
CID 136956644
4-[(4-hydroxyoxan-4-yl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136956947
5-bromo-4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136956948
2-ethyl-4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136976512
2-cyclopropyl-4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136976513
4-[(4-hydroxyoxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976514
2-ethyl-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136981160
4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136981163

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one (CID 136956949) is 4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one is O=c1cc(NCC2(O)CCOCC2)nc[nH]1.
What is the InChIKey of 4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is CBYWLEJDQAXYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c14-9-5-8(12-7-13-9)11-6-10(15)1-3-16-4-2-10/h5,7,15H,1-4,6H2,(H2,11,12,13,14).
What are the key properties of 4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one?
4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 225.25 g/mol, XLogP of -0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).