4-[3-[4-ethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine

C26H38N6O — CID 54760478

IUPAC4-[3-[4-ethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine
SMILESCCc1nc(-c2ccc(N3CCN(C)CC3)cc2)nc2c1CCN2CCCN1CCOCC1
InChIInChI=1S/C26H38N6O/c1-3-24-23-9-12-32(11-4-10-30-17-19-33-20-18-30)26(23)28-25(27-24)21-5-7-22(8-6-21)31-15-13-29(2)14-16-31/h5-8H,3-4,9-20H2,1-2H3
InChIKeyFGRLSVWLGQXRRF-UHFFFAOYSA-N
MW450.63 g/mol
LogP2.54
Rot. Bonds7

About 4-[3-[4-ethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine

4-[3-[4-ethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine (PubChem CID 54760478) has the molecular formula C26H38N6O and a molecular weight of 450.63 g/mol. Its IUPAC name is 4-[3-[4-ethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-ethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine
PubChem CID54760478
Molecular FormulaC26H38N6O
Molecular Weight450.63 g/mol
Exact Mass450.31
IUPAC Name4-[3-[4-ethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine
SMILESCCc1nc(-c2ccc(N3CCN(C)CC3)cc2)nc2c1CCN2CCCN1CCOCC1
InChIInChI=1S/C26H38N6O/c1-3-24-23-9-12-32(11-4-10-30-17-19-33-20-18-30)26(23)28-25(27-24)21-5-7-22(8-6-21)31-15-13-29(2)14-16-31/h5-8H,3-4,9-20H2,1-2H3
InChIKeyFGRLSVWLGQXRRF-UHFFFAOYSA-N
XLogP2.54
TPSA47.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[3-[4-ethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine 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

4-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-pyrrolidin-1-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 118721662
N,N-dimethyl-1-[4-[4-methyl-7-(3-morpholin-4-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]phenyl]piperidin-4-amine
CID 54760479
2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-pyrrolidin-1-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 54760105
6,7-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-morpholin-4-ylbutyl)pteridin-4-amine
CID 71479252
4-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]morpholine
CID 170869835
2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine
CID 71109457
6,6-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine
CID 57387154
4-[3-[2-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]-8,12,20-triazapentacyclo[11.7.1.02,7.08,21.014,19]henicosa-1(20),4,6,13(21),14,16,18-heptaen-12-yl]propyl]morpholine
CID 155041731
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827958
7-(4-methylpiperazin-1-yl)-4-N,6-N-bis(2-morpholin-4-ylethyl)-2-phenylpteridine-4,6-diamine
CID 71111903
3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine
CID 25204039
4-[4-(6-ethyl-5-methyl-2-pyridinyl)phenyl]morpholine
CID 121495176

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-ethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine?
The IUPAC name of 4-[3-[4-ethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine (CID 54760478) is 4-[3-[4-ethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-ethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-ethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine is CCc1nc(-c2ccc(N3CCN(C)CC3)cc2)nc2c1CCN2CCCN1CCOCC1.
What is the InChIKey of 4-[3-[4-ethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine?
The InChIKey is FGRLSVWLGQXRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N6O/c1-3-24-23-9-12-32(11-4-10-30-17-19-33-20-18-30)26(23)28-25(27-24)21-5-7-22(8-6-21)31-15-13-29(2)14-16-31/h5-8H,3-4,9-20H2,1-2H3.
What are the key properties of 4-[3-[4-ethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine?
4-[3-[4-ethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine has a molecular weight of 450.63 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-ethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine is sourced from PubChem (CID 54760478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).