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

C9H13ClN4O2 — CID 136706921

IUPAC5-chloro-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC2COCCN2)c1Cl
InChIInChI=1S/C9H13ClN4O2/c10-7-8(13-5-14-9(7)15)12-3-6-4-16-2-1-11-6/h5-6,11H,1-4H2,(H2,12,13,14,15)
InChIKeyWZIXIHYCHXYOKI-UHFFFAOYSA-N
MW244.68 g/mol
LogP-0.18
Rot. Bonds3

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

5-chloro-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136706921) has the molecular formula C9H13ClN4O2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 5-chloro-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136706921
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC Name5-chloro-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC2COCCN2)c1Cl
InChIInChI=1S/C9H13ClN4O2/c10-7-8(13-5-14-9(7)15)12-3-6-4-16-2-1-11-6/h5-6,11H,1-4H2,(H2,12,13,14,15)
InChIKeyWZIXIHYCHXYOKI-UHFFFAOYSA-N
XLogP-0.18
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-chloro-4-(morpholin-3-ylmethylamino)-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-iodo-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706913
4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706914
5-amino-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706918
5-bromo-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706920
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
5-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136825658
4-[(1-amino-3-methoxypropan-2-yl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136870582
5-chloro-4-(3-methylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136970786
5-chloro-4-(2,5-dimethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136970788
5-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136970808
5-chloro-4-(3-ethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136970848

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one (CID 136706921) is 5-chloro-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NCC2COCCN2)c1Cl.
What is the InChIKey of 5-chloro-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is WZIXIHYCHXYOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2/c10-7-8(13-5-14-9(7)15)12-3-6-4-16-2-1-11-6/h5-6,11H,1-4H2,(H2,12,13,14,15).
What are the key properties of 5-chloro-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one?
5-chloro-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 244.68 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136706921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).