5-chloro-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one

C8H12ClN3O2 — CID 114586306

IUPAC5-chloro-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
SMILESCNCC(C)Oc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C8H12ClN3O2/c1-5(3-10-2)14-8-6(9)7(13)11-4-12-8/h4-5,10H,3H2,1-2H3,(H,11,12,13)
InChIKeyLPSICSDGLHSYDV-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.41
Rot. Bonds4

About 5-chloro-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one

5-chloro-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one (PubChem CID 114586306) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 5-chloro-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
PubChem CID114586306
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name5-chloro-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
SMILESCNCC(C)Oc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C8H12ClN3O2/c1-5(3-10-2)14-8-6(9)7(13)11-4-12-8/h4-5,10H,3H2,1-2H3,(H,11,12,13)
InChIKeyLPSICSDGLHSYDV-UHFFFAOYSA-N
XLogP0.41
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635388
5-chloro-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102740468
5-chloro-4-pentan-2-yloxy-1H-pyrimidin-6-one
CID 102983136
5-chloro-4-(1-ethoxypropan-2-yloxy)-1H-pyrimidin-6-one
CID 103489522
5-chloro-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939636
5-chloro-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one
CID 113616107
5-chloro-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586296
5-methoxy-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586301
4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586307
5-methoxy-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586311
5-bromo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586312
5-iodo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586315

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one (CID 114586306) is 5-chloro-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one is CNCC(C)Oc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one?
The InChIKey is LPSICSDGLHSYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2/c1-5(3-10-2)14-8-6(9)7(13)11-4-12-8/h4-5,10H,3H2,1-2H3,(H,11,12,13).
What are the key properties of 5-chloro-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one?
5-chloro-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one has a molecular weight of 217.66 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114586306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).