2-chloro-4-morpholin-4-yl-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-8-one

C14H17ClN4O2 — CID 86640115

IUPAC2-chloro-4-morpholin-4-yl-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-8-one
SMILESO=C1CCC2c3nc(Cl)nc(N4CCOCC4)c3CCN12
InChIInChI=1S/C14H17ClN4O2/c15-14-16-12-9(3-4-19-10(12)1-2-11(19)20)13(17-14)18-5-7-21-8-6-18/h10H,1-8H2
InChIKeyMWLUSUGEUIBVNZ-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.19
Rot. Bonds1

About 2-chloro-4-morpholin-4-yl-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-8-one

2-chloro-4-morpholin-4-yl-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-8-one (PubChem CID 86640115) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 2-chloro-4-morpholin-4-yl-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-8-one.

Molecular Properties

Compound Name2-chloro-4-morpholin-4-yl-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-8-one
PubChem CID86640115
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name2-chloro-4-morpholin-4-yl-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-8-one
SMILESO=C1CCC2c3nc(Cl)nc(N4CCOCC4)c3CCN12
InChIInChI=1S/C14H17ClN4O2/c15-14-16-12-9(3-4-19-10(12)1-2-11(19)20)13(17-14)18-5-7-21-8-6-18/h10H,1-8H2
InChIKeyMWLUSUGEUIBVNZ-UHFFFAOYSA-N
XLogP1.19
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-morpholin-4-yl-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-8-one with MolForge

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Related Compounds

1-[4-(4-morpholin-4-yl-8-oxo-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-2-yl)phenyl]-3-propylurea
CID 158522789
(7R)-2-chloro-5,7-dimethyl-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one
CID 86338948
1-ethyl-3-[4-[(1S)-6-morpholin-4-yl-11-oxo-3,5,10,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-4-yl]phenyl]urea
CID 67478381
tert-butyl 2-chloro-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 59239183
4-(2,5-dichloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)morpholine
CID 25255100
2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 146469522
(7E,8S)-7-(trimethylsilylmethylidene)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
CID 12842579
1-(2-chloro-7-methyl-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)-2-hydroxyethanone
CID 167214059
2-chloro-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 86618417
1,4-dioxane;2,4,6-trichloro-1,3,5-triazine
CID 175183394
4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine
CID 134511412
4-(2-chloro-7,8-dimethylpurin-6-yl)morpholine
CID 162379156

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-morpholin-4-yl-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-8-one?
The IUPAC name of 2-chloro-4-morpholin-4-yl-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-8-one (CID 86640115) is 2-chloro-4-morpholin-4-yl-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-8-one.
What is the SMILES notation for 2-chloro-4-morpholin-4-yl-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-8-one?
The canonical SMILES for 2-chloro-4-morpholin-4-yl-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-8-one is O=C1CCC2c3nc(Cl)nc(N4CCOCC4)c3CCN12.
What is the InChIKey of 2-chloro-4-morpholin-4-yl-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-8-one?
The InChIKey is MWLUSUGEUIBVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c15-14-16-12-9(3-4-19-10(12)1-2-11(19)20)13(17-14)18-5-7-21-8-6-18/h10H,1-8H2.
What are the key properties of 2-chloro-4-morpholin-4-yl-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-8-one?
2-chloro-4-morpholin-4-yl-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-8-one has a molecular weight of 308.77 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-morpholin-4-yl-6,9,10,10a-tetrahydro-5H-pyrimido[5,4-g]indolizin-8-one is sourced from PubChem (CID 86640115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).