6-chloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one

C12H18ClN3O2 — CID 114582389

IUPAC6-chloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one
SMILESCC(C)N1CCOC(Cn2cnc(Cl)cc2=O)C1
InChIInChI=1S/C12H18ClN3O2/c1-9(2)15-3-4-18-10(6-15)7-16-8-14-11(13)5-12(16)17/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyMYBNVMUNHOAWQY-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.01
Rot. Bonds3

About 6-chloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one

6-chloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one (PubChem CID 114582389) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 6-chloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one
PubChem CID114582389
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name6-chloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one
SMILESCC(C)N1CCOC(Cn2cnc(Cl)cc2=O)C1
InChIInChI=1S/C12H18ClN3O2/c1-9(2)15-3-4-18-10(6-15)7-16-8-14-11(13)5-12(16)17/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyMYBNVMUNHOAWQY-UHFFFAOYSA-N
XLogP1.01
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-9-(2-isopropoxyethyl)-8,8-dimethyl-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one
CID 67982936
6-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylpyrimidin-4-one
CID 176143458
5-Iodo-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 66309066
3-[(4-Ethylmorpholin-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one
CID 79375352
2-Methoxy-6-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 79376027
2-Methoxy-6-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 79376396
6-Chloro-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455819
6-Chloro-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one
CID 113604227
5-Amino-6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 113604265
6-Chloro-2-ethyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 113604499
6-Chloro-3-[(4-ethylmorpholin-2-yl)methyl]-5-methoxypyrimidin-4-one
CID 113604660
6-Chloro-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 114581734

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one (CID 114582389) is 6-chloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one is CC(C)N1CCOC(Cn2cnc(Cl)cc2=O)C1.
What is the InChIKey of 6-chloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one?
The InChIKey is MYBNVMUNHOAWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-9(2)15-3-4-18-10(6-15)7-16-8-14-11(13)5-12(16)17/h5,8-10H,3-4,6-7H2,1-2H3.
What are the key properties of 6-chloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one?
6-chloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one has a molecular weight of 271.75 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 114582389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).