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

C8H12ClN3O2 — CID 136974082

IUPAC5-chloro-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one
SMILESCCOCCNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C8H12ClN3O2/c1-2-14-4-3-10-7-6(9)8(13)12-5-11-7/h5H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyRINIHOGWRGRZET-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.87
Rot. Bonds5

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

5-chloro-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one (PubChem CID 136974082) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 5-chloro-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one
PubChem CID136974082
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name5-chloro-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one
SMILESCCOCCNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C8H12ClN3O2/c1-2-14-4-3-10-7-6(9)8(13)12-5-11-7/h5H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyRINIHOGWRGRZET-UHFFFAOYSA-N
XLogP0.87
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136896832
5-chloro-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975764
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
5-chloro-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586380
5-chloro-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114676261
5-chloro-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114676272
5-chloro-2-[[(2R)-1-methoxypropan-2-yl]amino]-1H-pyrimidin-6-one
CID 133663753
5-chloro-2-(2-methoxyethylamino)-1H-pyrimidin-6-one
CID 133682308

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one (CID 136974082) is 5-chloro-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one is CCOCCNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one?
The InChIKey is RINIHOGWRGRZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2/c1-2-14-4-3-10-7-6(9)8(13)12-5-11-7/h5H,2-4H2,1H3,(H2,10,11,12,13).
What are the key properties of 5-chloro-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one?
5-chloro-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one has a molecular weight of 217.66 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136974082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).