1-chloro-3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]indol-2-ol

C21H24ClN5O2 — CID 136503607

IUPAC1-chloro-3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]indol-2-ol
SMILESOc1c(-c2nc(NCCN3CCOCC3)nc3c2CCC3)c2ccccc2n1Cl
InChIInChI=1S/C21H24ClN5O2/c22-27-17-7-2-1-4-15(17)18(20(27)28)19-14-5-3-6-16(14)24-21(25-19)23-8-9-26-10-12-29-13-11-26/h1-2,4,7,28H,3,5-6,8-13H2,(H,23,24,25)
InChIKeyMBOMBTQCBWCXLO-UHFFFAOYSA-N
MW413.91 g/mol
LogP3.04
Rot. Bonds5

About 1-chloro-3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]indol-2-ol

1-chloro-3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]indol-2-ol (PubChem CID 136503607) has the molecular formula C21H24ClN5O2 and a molecular weight of 413.91 g/mol. Its IUPAC name is 1-chloro-3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]indol-2-ol.

Molecular Properties

Compound Name1-chloro-3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]indol-2-ol
PubChem CID136503607
Molecular FormulaC21H24ClN5O2
Molecular Weight413.91 g/mol
Exact Mass413.16
IUPAC Name1-chloro-3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]indol-2-ol
SMILESOc1c(-c2nc(NCCN3CCOCC3)nc3c2CCC3)c2ccccc2n1Cl
InChIInChI=1S/C21H24ClN5O2/c22-27-17-7-2-1-4-15(17)18(20(27)28)19-14-5-3-6-16(14)24-21(25-19)23-8-9-26-10-12-29-13-11-26/h1-2,4,7,28H,3,5-6,8-13H2,(H,23,24,25)
InChIKeyMBOMBTQCBWCXLO-UHFFFAOYSA-N
XLogP3.04
TPSA75.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-chloro-3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]indol-2-ol 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

N-(9-morpholin-4-ylnonyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 54768920
3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-1,3-dihydroindole-5-carbonitrile
CID 50995910
N-(2-morpholin-4-ylethyl)-4-phenylphthalazin-1-amine
CID 6416457
2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 1095343
(7S)-4-methyl-7-(2-methylphenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 28628842
5-bromo-3-[2-(3-morpholin-4-ylpropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindol-2-one
CID 50995543
4-chloro-6-methyl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine
CID 143985982
4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidin-2-amine
CID 112935363
N-(4-pyrrolidin-1-ylbutyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110432415
5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine
CID 112945318
2-N,4-N-bis(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887262
3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylic acid
CID 15678720

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]indol-2-ol?
The IUPAC name of 1-chloro-3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]indol-2-ol (CID 136503607) is 1-chloro-3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]indol-2-ol.
What is the SMILES notation for 1-chloro-3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]indol-2-ol?
The canonical SMILES for 1-chloro-3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]indol-2-ol is Oc1c(-c2nc(NCCN3CCOCC3)nc3c2CCC3)c2ccccc2n1Cl.
What is the InChIKey of 1-chloro-3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]indol-2-ol?
The InChIKey is MBOMBTQCBWCXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O2/c22-27-17-7-2-1-4-15(17)18(20(27)28)19-14-5-3-6-16(14)24-21(25-19)23-8-9-26-10-12-29-13-11-26/h1-2,4,7,28H,3,5-6,8-13H2,(H,23,24,25).
What are the key properties of 1-chloro-3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]indol-2-ol?
1-chloro-3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]indol-2-ol has a molecular weight of 413.91 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2-(2-morpholin-4-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]indol-2-ol is sourced from PubChem (CID 136503607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).