5-chloro-4-(3,3-dimethylmorpholin-4-yl)-1H-pyrimidin-6-one

C10H14ClN3O2 — CID 136970997

IUPAC5-chloro-4-(3,3-dimethylmorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCC1(C)COCCN1c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H14ClN3O2/c1-10(2)5-16-4-3-14(10)8-7(11)9(15)13-6-12-8/h6H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyZYQYUVFAMVAMGA-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.04
Rot. Bonds1

About 5-chloro-4-(3,3-dimethylmorpholin-4-yl)-1H-pyrimidin-6-one

5-chloro-4-(3,3-dimethylmorpholin-4-yl)-1H-pyrimidin-6-one (PubChem CID 136970997) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 5-chloro-4-(3,3-dimethylmorpholin-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(3,3-dimethylmorpholin-4-yl)-1H-pyrimidin-6-one
PubChem CID136970997
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name5-chloro-4-(3,3-dimethylmorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCC1(C)COCCN1c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H14ClN3O2/c1-10(2)5-16-4-3-14(10)8-7(11)9(15)13-6-12-8/h6H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyZYQYUVFAMVAMGA-UHFFFAOYSA-N
XLogP1.04
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706921
5-chloro-4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783258
4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one
CID 136783261
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one
CID 136783267
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
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
5-bromo-4-(3,3-dimethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136970998
4-(3,3-dimethylmorpholin-4-yl)-5-iodo-1H-pyrimidin-6-one
CID 136970999

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3,3-dimethylmorpholin-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(3,3-dimethylmorpholin-4-yl)-1H-pyrimidin-6-one (CID 136970997) is 5-chloro-4-(3,3-dimethylmorpholin-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(3,3-dimethylmorpholin-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(3,3-dimethylmorpholin-4-yl)-1H-pyrimidin-6-one is CC1(C)COCCN1c1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(3,3-dimethylmorpholin-4-yl)-1H-pyrimidin-6-one?
The InChIKey is ZYQYUVFAMVAMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-10(2)5-16-4-3-14(10)8-7(11)9(15)13-6-12-8/h6H,3-5H2,1-2H3,(H,12,13,15).
What are the key properties of 5-chloro-4-(3,3-dimethylmorpholin-4-yl)-1H-pyrimidin-6-one?
5-chloro-4-(3,3-dimethylmorpholin-4-yl)-1H-pyrimidin-6-one has a molecular weight of 243.69 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3,3-dimethylmorpholin-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136970997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).