5-chloro-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one

C11H17ClN4O2 — CID 136973879

IUPAC5-chloro-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCCN2CCOCC2)c1Cl
InChIInChI=1S/C11H17ClN4O2/c12-9-10(14-8-15-11(9)17)13-2-1-3-16-4-6-18-7-5-16/h8H,1-7H2,(H2,13,14,15,17)
InChIKeyWXVBABKFXOAKMN-UHFFFAOYSA-N
MW272.74 g/mol
LogP0.56
Rot. Bonds5

About 5-chloro-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one

5-chloro-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one (PubChem CID 136973879) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 5-chloro-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one
PubChem CID136973879
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name5-chloro-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCCN2CCOCC2)c1Cl
InChIInChI=1S/C11H17ClN4O2/c12-9-10(14-8-15-11(9)17)13-2-1-3-16-4-6-18-7-5-16/h8H,1-7H2,(H2,13,14,15,17)
InChIKeyWXVBABKFXOAKMN-UHFFFAOYSA-N
XLogP0.56
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-chloro-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one
CID 135568309
5-chloro-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706921
4-[3-(2-aminoethoxy)propylamino]-5-chloro-1H-pyrimidin-6-one
CID 136730545
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one
CID 136783267
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783270
5-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136792834
5-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136825658
4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N'-hydroxymorpholine-2-carboximidamide
CID 136900986
5-iodo-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one
CID 136956036
4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one
CID 136956037
4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956891
4-[(4-ethylmorpholin-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136958122

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one (CID 136973879) is 5-chloro-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCCN2CCOCC2)c1Cl.
What is the InChIKey of 5-chloro-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one?
The InChIKey is WXVBABKFXOAKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c12-9-10(14-8-15-11(9)17)13-2-1-3-16-4-6-18-7-5-16/h8H,1-7H2,(H2,13,14,15,17).
What are the key properties of 5-chloro-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one?
5-chloro-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one has a molecular weight of 272.74 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).