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

C7H10ClN3O2 — CID 136973495

IUPAC5-chloro-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
SMILESCOCCNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C7H10ClN3O2/c1-13-3-2-9-6-5(8)7(12)11-4-10-6/h4H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyHZSOKNBREFVYGH-UHFFFAOYSA-N
MW203.63 g/mol
LogP0.48
Rot. Bonds4

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

5-chloro-4-(2-methoxyethylamino)-1H-pyrimidin-6-one (PubChem CID 136973495) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 5-chloro-4-(2-methoxyethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
PubChem CID136973495
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name5-chloro-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
SMILESCOCCNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C7H10ClN3O2/c1-13-3-2-9-6-5(8)7(12)11-4-10-6/h4H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyHZSOKNBREFVYGH-UHFFFAOYSA-N
XLogP0.48
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 50.48
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-2-[[(2R)-1-methoxypropan-2-yl]amino]-1H-pyrimidin-6-one
CID 133663753
5-chloro-2-(2-methoxyethylamino)-1H-pyrimidin-6-one
CID 133682308
5-chloro-4-[2-methoxyethyl(prop-2-enyl)amino]-1H-pyrimidin-6-one
CID 136678163

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-methoxyethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2-methoxyethylamino)-1H-pyrimidin-6-one (CID 136973495) is 5-chloro-4-(2-methoxyethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2-methoxyethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2-methoxyethylamino)-1H-pyrimidin-6-one is COCCNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(2-methoxyethylamino)-1H-pyrimidin-6-one?
The InChIKey is HZSOKNBREFVYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c1-13-3-2-9-6-5(8)7(12)11-4-10-6/h4H,2-3H2,1H3,(H2,9,10,11,12).
What are the key properties of 5-chloro-4-(2-methoxyethylamino)-1H-pyrimidin-6-one?
5-chloro-4-(2-methoxyethylamino)-1H-pyrimidin-6-one has a molecular weight of 203.63 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-methoxyethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).