6-(dibutylamino)-N-(2,3-dimethyl-2,3-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide

C27H40N6O2 — CID 58725427

IUPAC6-(dibutylamino)-N-(2,3-dimethyl-2,3-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCCCCN(CCCC)c1cc(C(=O)Nc2ccc3c(c2)C(C)C(C)N3)nc(N2CCOCC2)n1
InChIInChI=1S/C27H40N6O2/c1-5-7-11-32(12-8-6-2)25-18-24(30-27(31-25)33-13-15-35-16-14-33)26(34)29-21-9-10-23-22(17-21)19(3)20(4)28-23/h9-10,17-20,28H,5-8,11-16H2,1-4H3,(H,29,34)
InChIKeyDIPTZLGZRSCJRE-UHFFFAOYSA-N
MW480.66 g/mol
LogP4.89
Rot. Bonds10

About 6-(dibutylamino)-N-(2,3-dimethyl-2,3-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide

6-(dibutylamino)-N-(2,3-dimethyl-2,3-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 58725427) has the molecular formula C27H40N6O2 and a molecular weight of 480.66 g/mol. Its IUPAC name is 6-(dibutylamino)-N-(2,3-dimethyl-2,3-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(dibutylamino)-N-(2,3-dimethyl-2,3-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID58725427
Molecular FormulaC27H40N6O2
Molecular Weight480.66 g/mol
Exact Mass480.32
IUPAC Name6-(dibutylamino)-N-(2,3-dimethyl-2,3-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCCCCN(CCCC)c1cc(C(=O)Nc2ccc3c(c2)C(C)C(C)N3)nc(N2CCOCC2)n1
InChIInChI=1S/C27H40N6O2/c1-5-7-11-32(12-8-6-2)25-18-24(30-27(31-25)33-13-15-35-16-14-33)26(34)29-21-9-10-23-22(17-21)19(3)20(4)28-23/h9-10,17-20,28H,5-8,11-16H2,1-4H3,(H,29,34)
InChIKeyDIPTZLGZRSCJRE-UHFFFAOYSA-N
XLogP4.89
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.66
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(dibutylamino)-N-(2,3-dimethyl-2,3-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide 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

6-[bis(2-hydroxyethyl)amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 11568703
N-(4-bromo-3-methylphenyl)-6-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 59258645
6-[2-methoxyethyl(methyl)amino]-N-(2-methylquinolin-6-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 59258570
N-(4-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324267
N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324278
6-[dimethylcarbamoyl(methyl)amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 90805752
N-(2,3-dimethyl-1H-indol-5-yl)-6-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 59258718
N-(2,3-dimethyl-1H-indol-5-yl)-2,6-dimorpholin-4-ylpyrimidine-4-carboxamide
CID 11697823
(2R)-3-benzylsulfanyl-2-[[6-(dipropylamino)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carbonyl]amino]propanoic acid
CID 143140184
6-[butyl(methyl)amino]-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 112846986
6-(4-carbamoylpiperidin-1-yl)-N-(3-ethyl-2-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 59258719
N-(2,3-dimethyl-1H-indol-5-yl)-6-[2-[hydroxy(2-propoxyethyl)amino]ethoxy]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 118181635

Frequently Asked Questions

What is the IUPAC name of 6-(dibutylamino)-N-(2,3-dimethyl-2,3-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-(dibutylamino)-N-(2,3-dimethyl-2,3-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 58725427) is 6-(dibutylamino)-N-(2,3-dimethyl-2,3-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(dibutylamino)-N-(2,3-dimethyl-2,3-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(dibutylamino)-N-(2,3-dimethyl-2,3-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide is CCCCN(CCCC)c1cc(C(=O)Nc2ccc3c(c2)C(C)C(C)N3)nc(N2CCOCC2)n1.
What is the InChIKey of 6-(dibutylamino)-N-(2,3-dimethyl-2,3-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is DIPTZLGZRSCJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N6O2/c1-5-7-11-32(12-8-6-2)25-18-24(30-27(31-25)33-13-15-35-16-14-33)26(34)29-21-9-10-23-22(17-21)19(3)20(4)28-23/h9-10,17-20,28H,5-8,11-16H2,1-4H3,(H,29,34).
What are the key properties of 6-(dibutylamino)-N-(2,3-dimethyl-2,3-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
6-(dibutylamino)-N-(2,3-dimethyl-2,3-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 480.66 g/mol, XLogP of 4.89, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dibutylamino)-N-(2,3-dimethyl-2,3-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 58725427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).