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

C10H14ClN3O3 — CID 136675577

IUPAC5-chloro-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1OCCC1(O)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H14ClN3O3/c1-6-10(16,2-3-17-6)4-12-8-7(11)9(15)14-5-13-8/h5-6,16H,2-4H2,1H3,(H2,12,13,14,15)
InChIKeyQEQOABVAVWHGPY-UHFFFAOYSA-N
MW259.69 g/mol
LogP0.38
Rot. Bonds3

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

5-chloro-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136675577) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 5-chloro-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136675577
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name5-chloro-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1OCCC1(O)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H14ClN3O3/c1-6-10(16,2-3-17-6)4-12-8-7(11)9(15)14-5-13-8/h5-6,16H,2-4H2,1H3,(H2,12,13,14,15)
InChIKeyQEQOABVAVWHGPY-UHFFFAOYSA-N
XLogP0.38
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675567
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
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136675574
5-amino-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675575
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136675579
5-chloro-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 136864254
5-chloro-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905791
5-chloro-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136981165
5-chloro-4-[(4-hydroxyoxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 137016577
5-chloro-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 137016651

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one (CID 136675577) is 5-chloro-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one is CC1OCCC1(O)CNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is QEQOABVAVWHGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-6-10(16,2-3-17-6)4-12-8-7(11)9(15)14-5-13-8/h5-6,16H,2-4H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-chloro-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
5-chloro-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 259.69 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136675577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).