6-(dipropylamino)-N'-(3-methylphenyl)-2-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide

C24H36N6O3 — CID 71193788

IUPAC6-(dipropylamino)-N'-(3-methylphenyl)-2-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide
SMILESCCCN(CCC)c1cc(C(=O)NNc2cccc(C)c2)nc(OCCN2CCOCC2)n1
InChIInChI=1S/C24H36N6O3/c1-4-9-30(10-5-2)22-18-21(23(31)28-27-20-8-6-7-19(3)17-20)25-24(26-22)33-16-13-29-11-14-32-15-12-29/h6-8,17-18,27H,4-5,9-16H2,1-3H3,(H,28,31)
InChIKeyHEQFBCXXJZTLIL-UHFFFAOYSA-N
MW456.59 g/mol
LogP2.88
Rot. Bonds12

About 6-(dipropylamino)-N'-(3-methylphenyl)-2-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide

6-(dipropylamino)-N'-(3-methylphenyl)-2-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide (PubChem CID 71193788) has the molecular formula C24H36N6O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is 6-(dipropylamino)-N'-(3-methylphenyl)-2-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide.

Molecular Properties

Compound Name6-(dipropylamino)-N'-(3-methylphenyl)-2-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide
PubChem CID71193788
Molecular FormulaC24H36N6O3
Molecular Weight456.59 g/mol
Exact Mass456.28
IUPAC Name6-(dipropylamino)-N'-(3-methylphenyl)-2-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide
SMILESCCCN(CCC)c1cc(C(=O)NNc2cccc(C)c2)nc(OCCN2CCOCC2)n1
InChIInChI=1S/C24H36N6O3/c1-4-9-30(10-5-2)22-18-21(23(31)28-27-20-8-6-7-19(3)17-20)25-24(26-22)33-16-13-29-11-14-32-15-12-29/h6-8,17-18,27H,4-5,9-16H2,1-3H3,(H,28,31)
InChIKeyHEQFBCXXJZTLIL-UHFFFAOYSA-N
XLogP2.88
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3-methylphenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide
CID 58808808
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
(5E)-5-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol
CID 136638391
2-(dipropylamino)-N'-(3-methylphenyl)-6-[2-(1-methyl-2H-pyridin-6-yl)ethoxy]pyrimidine-4-carbohydrazide
CID 143340704
2-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-N-(3-sulfamoylphenyl)pyrimidine-4-carboxamide
CID 143341027
2-(dipropylamino)-N-[4-(methylamino)phenyl]-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 143450222
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
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
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
4-[2-[6-(3-methylphenyl)quinazolin-2-yl]oxyethyl]morpholine
CID 90689533
6-N-(3-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096463

Frequently Asked Questions

What is the IUPAC name of 6-(dipropylamino)-N'-(3-methylphenyl)-2-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide?
The IUPAC name of 6-(dipropylamino)-N'-(3-methylphenyl)-2-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide (CID 71193788) is 6-(dipropylamino)-N'-(3-methylphenyl)-2-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide.
What is the SMILES notation for 6-(dipropylamino)-N'-(3-methylphenyl)-2-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide?
The canonical SMILES for 6-(dipropylamino)-N'-(3-methylphenyl)-2-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide is CCCN(CCC)c1cc(C(=O)NNc2cccc(C)c2)nc(OCCN2CCOCC2)n1.
What is the InChIKey of 6-(dipropylamino)-N'-(3-methylphenyl)-2-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide?
The InChIKey is HEQFBCXXJZTLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O3/c1-4-9-30(10-5-2)22-18-21(23(31)28-27-20-8-6-7-19(3)17-20)25-24(26-22)33-16-13-29-11-14-32-15-12-29/h6-8,17-18,27H,4-5,9-16H2,1-3H3,(H,28,31).
What are the key properties of 6-(dipropylamino)-N'-(3-methylphenyl)-2-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide?
6-(dipropylamino)-N'-(3-methylphenyl)-2-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide has a molecular weight of 456.59 g/mol, XLogP of 2.88, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dipropylamino)-N'-(3-methylphenyl)-2-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide is sourced from PubChem (CID 71193788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).