4-(2-amino-2-methylpropoxy)-5-chloro-1H-pyrimidin-6-one

C8H12ClN3O2 — CID 114586451

IUPAC4-(2-amino-2-methylpropoxy)-5-chloro-1H-pyrimidin-6-one
SMILESCC(C)(N)COc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C8H12ClN3O2/c1-8(2,10)3-14-7-5(9)6(13)11-4-12-7/h4H,3,10H2,1-2H3,(H,11,12,13)
InChIKeyUKLKJRGFQDZXJI-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.54
Rot. Bonds3

About 4-(2-amino-2-methylpropoxy)-5-chloro-1H-pyrimidin-6-one

4-(2-amino-2-methylpropoxy)-5-chloro-1H-pyrimidin-6-one (PubChem CID 114586451) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropoxy)-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-amino-2-methylpropoxy)-5-chloro-1H-pyrimidin-6-one
PubChem CID114586451
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name4-(2-amino-2-methylpropoxy)-5-chloro-1H-pyrimidin-6-one
SMILESCC(C)(N)COc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C8H12ClN3O2/c1-8(2,10)3-14-7-5(9)6(13)11-4-12-7/h4H,3,10H2,1-2H3,(H,11,12,13)
InChIKeyUKLKJRGFQDZXJI-UHFFFAOYSA-N
XLogP0.54
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
CID 106448541
5-chloro-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one
CID 106666423
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-chloro-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586306
5-chloro-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586325
5-chloro-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586335
4-(2-aminoethoxy)-5-chloro-1H-pyrimidin-6-one
CID 114586353
4-(3-aminopropoxy)-5-chloro-1H-pyrimidin-6-one
CID 114586363
5-chloro-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586380
5-chloro-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one
CID 114586389
4-(2-amino-2-methylpropoxy)-1H-pyrimidin-6-one
CID 114586452

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropoxy)-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-amino-2-methylpropoxy)-5-chloro-1H-pyrimidin-6-one (CID 114586451) is 4-(2-amino-2-methylpropoxy)-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-amino-2-methylpropoxy)-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-amino-2-methylpropoxy)-5-chloro-1H-pyrimidin-6-one is CC(C)(N)COc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 4-(2-amino-2-methylpropoxy)-5-chloro-1H-pyrimidin-6-one?
The InChIKey is UKLKJRGFQDZXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2/c1-8(2,10)3-14-7-5(9)6(13)11-4-12-7/h4H,3,10H2,1-2H3,(H,11,12,13).
What are the key properties of 4-(2-amino-2-methylpropoxy)-5-chloro-1H-pyrimidin-6-one?
4-(2-amino-2-methylpropoxy)-5-chloro-1H-pyrimidin-6-one has a molecular weight of 217.66 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpropoxy)-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 114586451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).