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

C6H8ClN3O2 — CID 114586353

IUPAC4-(2-aminoethoxy)-5-chloro-1H-pyrimidin-6-one
SMILESNCCOc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C6H8ClN3O2/c7-4-5(11)9-3-10-6(4)12-2-1-8/h3H,1-2,8H2,(H,9,10,11)
InChIKeyYXSYSWNOSBFLGP-UHFFFAOYSA-N
MW189.60 g/mol
LogP-0.24
Rot. Bonds3

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

4-(2-aminoethoxy)-5-chloro-1H-pyrimidin-6-one (PubChem CID 114586353) has the molecular formula C6H8ClN3O2 and a molecular weight of 189.60 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-aminoethoxy)-5-chloro-1H-pyrimidin-6-one
PubChem CID114586353
Molecular FormulaC6H8ClN3O2
Molecular Weight189.60 g/mol
Exact Mass189.03
IUPAC Name4-(2-aminoethoxy)-5-chloro-1H-pyrimidin-6-one
SMILESNCCOc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C6H8ClN3O2/c7-4-5(11)9-3-10-6(4)12-2-1-8/h3H,1-2,8H2,(H,9,10,11)
InChIKeyYXSYSWNOSBFLGP-UHFFFAOYSA-N
XLogP-0.24
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 114675906
5-chloro-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
CID 114676544
5-chloro-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 114676562
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)-1H-pyrimidin-6-one
CID 114586354
4-(2-aminoethoxy)-5-iodo-1H-pyrimidin-6-one
CID 114586362
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

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-aminoethoxy)-5-chloro-1H-pyrimidin-6-one (CID 114586353) is 4-(2-aminoethoxy)-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-aminoethoxy)-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-aminoethoxy)-5-chloro-1H-pyrimidin-6-one is NCCOc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 4-(2-aminoethoxy)-5-chloro-1H-pyrimidin-6-one?
The InChIKey is YXSYSWNOSBFLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O2/c7-4-5(11)9-3-10-6(4)12-2-1-8/h3H,1-2,8H2,(H,9,10,11).
What are the key properties of 4-(2-aminoethoxy)-5-chloro-1H-pyrimidin-6-one?
4-(2-aminoethoxy)-5-chloro-1H-pyrimidin-6-one has a molecular weight of 189.60 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 114586353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).