4-N-ethyl-6-N-[(E)-2-(7-methyl-6,7-dihydro-1H-indol-3-yl)ethenyl]-2-(2-morpholin-4-ylethoxy)-4-N-propylpyrimidine-4,6-diamine

C26H38N6O2 — CID 143341498

IUPAC4-N-ethyl-6-N-[(E)-2-(7-methyl-6,7-dihydro-1H-indol-3-yl)ethenyl]-2-(2-morpholin-4-ylethoxy)-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(CC)c1cc(N/C=C/c2c[nH]c3c2C=CCC3C)nc(OCCN2CCOCC2)n1
InChIInChI=1S/C26H38N6O2/c1-4-11-32(5-2)24-18-23(29-26(30-24)34-17-14-31-12-15-33-16-13-31)27-10-9-21-19-28-25-20(3)7-6-8-22(21)25/h6,8-10,18-20,28H,4-5,7,11-17H2,1-3H3,(H,27,29,30)/b10-9+
InChIKeyRWZQOMFLOCDYPJ-MDZDMXLPSA-N
MW466.63 g/mol
LogP4.36
Rot. Bonds11

About 4-N-ethyl-6-N-[(E)-2-(7-methyl-6,7-dihydro-1H-indol-3-yl)ethenyl]-2-(2-morpholin-4-ylethoxy)-4-N-propylpyrimidine-4,6-diamine

4-N-ethyl-6-N-[(E)-2-(7-methyl-6,7-dihydro-1H-indol-3-yl)ethenyl]-2-(2-morpholin-4-ylethoxy)-4-N-propylpyrimidine-4,6-diamine (PubChem CID 143341498) has the molecular formula C26H38N6O2 and a molecular weight of 466.63 g/mol. Its IUPAC name is 4-N-ethyl-6-N-[(E)-2-(7-methyl-6,7-dihydro-1H-indol-3-yl)ethenyl]-2-(2-morpholin-4-ylethoxy)-4-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-N-[(E)-2-(7-methyl-6,7-dihydro-1H-indol-3-yl)ethenyl]-2-(2-morpholin-4-ylethoxy)-4-N-propylpyrimidine-4,6-diamine
PubChem CID143341498
Molecular FormulaC26H38N6O2
Molecular Weight466.63 g/mol
Exact Mass466.31
IUPAC Name4-N-ethyl-6-N-[(E)-2-(7-methyl-6,7-dihydro-1H-indol-3-yl)ethenyl]-2-(2-morpholin-4-ylethoxy)-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(CC)c1cc(N/C=C/c2c[nH]c3c2C=CCC3C)nc(OCCN2CCOCC2)n1
InChIInChI=1S/C26H38N6O2/c1-4-11-32(5-2)24-18-23(29-26(30-24)34-17-14-31-12-15-33-16-13-31)27-10-9-21-19-28-25-20(3)7-6-8-22(21)25/h6,8-10,18-20,28H,4-5,7,11-17H2,1-3H3,(H,27,29,30)/b10-9+
InChIKeyRWZQOMFLOCDYPJ-MDZDMXLPSA-N
XLogP4.36
TPSA78.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-ethyl-6-N-[(E)-2-(7-methyl-6,7-dihydro-1H-indol-3-yl)ethenyl]-2-(2-morpholin-4-ylethoxy)-4-N-propylpyrimidine-4,6-diamine with MolForge

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Related Compounds

ethane;6-N-[(Z)-(3-methyl-2,3-dihydroinden-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 143333390
1-(2,4-dimethylphenyl)-3-[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]thiourea
CID 143450356
(1E)-1-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-2,3-dihydroinden-4-ol;ethane
CID 143341593
6-N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine;ethane
CID 143340754
(5E)-5-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol
CID 136638391
ethane;6-N-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 143333478
6-N-[(E)-1H-indol-3-ylmethylideneamino]-4-N-(2-methoxyethyl)-4-N-methyl-2-(2-morpholin-4-ylethoxy)pyrimidine-4,6-diamine
CID 135530125
ethane;6-N-[(E)-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 143333391
6-(dipropylamino)-N'-(3-methylphenyl)-2-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide
CID 71193788
6-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N,N-diethyl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
CID 58060245
6-N,6-N-diethyl-4-(2-morpholin-4-ylethoxy)pyridine-2,6-diamine
CID 143229880
2-(dipropylamino)-N-[4-(methylamino)phenyl]-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 143450222

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-N-[(E)-2-(7-methyl-6,7-dihydro-1H-indol-3-yl)ethenyl]-2-(2-morpholin-4-ylethoxy)-4-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-6-N-[(E)-2-(7-methyl-6,7-dihydro-1H-indol-3-yl)ethenyl]-2-(2-morpholin-4-ylethoxy)-4-N-propylpyrimidine-4,6-diamine (CID 143341498) is 4-N-ethyl-6-N-[(E)-2-(7-methyl-6,7-dihydro-1H-indol-3-yl)ethenyl]-2-(2-morpholin-4-ylethoxy)-4-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-6-N-[(E)-2-(7-methyl-6,7-dihydro-1H-indol-3-yl)ethenyl]-2-(2-morpholin-4-ylethoxy)-4-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-6-N-[(E)-2-(7-methyl-6,7-dihydro-1H-indol-3-yl)ethenyl]-2-(2-morpholin-4-ylethoxy)-4-N-propylpyrimidine-4,6-diamine is CCCN(CC)c1cc(N/C=C/c2c[nH]c3c2C=CCC3C)nc(OCCN2CCOCC2)n1.
What is the InChIKey of 4-N-ethyl-6-N-[(E)-2-(7-methyl-6,7-dihydro-1H-indol-3-yl)ethenyl]-2-(2-morpholin-4-ylethoxy)-4-N-propylpyrimidine-4,6-diamine?
The InChIKey is RWZQOMFLOCDYPJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C26H38N6O2/c1-4-11-32(5-2)24-18-23(29-26(30-24)34-17-14-31-12-15-33-16-13-31)27-10-9-21-19-28-25-20(3)7-6-8-22(21)25/h6,8-10,18-20,28H,4-5,7,11-17H2,1-3H3,(H,27,29,30)/b10-9+.
What are the key properties of 4-N-ethyl-6-N-[(E)-2-(7-methyl-6,7-dihydro-1H-indol-3-yl)ethenyl]-2-(2-morpholin-4-ylethoxy)-4-N-propylpyrimidine-4,6-diamine?
4-N-ethyl-6-N-[(E)-2-(7-methyl-6,7-dihydro-1H-indol-3-yl)ethenyl]-2-(2-morpholin-4-ylethoxy)-4-N-propylpyrimidine-4,6-diamine has a molecular weight of 466.63 g/mol, XLogP of 4.36, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-N-[(E)-2-(7-methyl-6,7-dihydro-1H-indol-3-yl)ethenyl]-2-(2-morpholin-4-ylethoxy)-4-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 143341498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).