1-(2,4-dimethylphenyl)-3-[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]thiourea

C25H38N6O2S — CID 143450356

IUPAC1-(2,4-dimethylphenyl)-3-[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]thiourea
SMILESCCCN(CCC)c1cc(NC(=S)Nc2ccc(C)cc2C)nc(OCCN2CCOCC2)n1
InChIInChI=1S/C25H38N6O2S/c1-5-9-31(10-6-2)23-18-22(28-25(34)26-21-8-7-19(3)17-20(21)4)27-24(29-23)33-16-13-30-11-14-32-15-12-30/h7-8,17-18H,5-6,9-16H2,1-4H3,(H2,26,27,28,29,34)
InChIKeyYZXHDPADLXUDGY-UHFFFAOYSA-N
MW486.69 g/mol
LogP4.24
Rot. Bonds11

About 1-(2,4-dimethylphenyl)-3-[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]thiourea

1-(2,4-dimethylphenyl)-3-[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]thiourea (PubChem CID 143450356) has the molecular formula C25H38N6O2S and a molecular weight of 486.69 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]thiourea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]thiourea
PubChem CID143450356
Molecular FormulaC25H38N6O2S
Molecular Weight486.69 g/mol
Exact Mass486.28
IUPAC Name1-(2,4-dimethylphenyl)-3-[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]thiourea
SMILESCCCN(CCC)c1cc(NC(=S)Nc2ccc(C)cc2C)nc(OCCN2CCOCC2)n1
InChIInChI=1S/C25H38N6O2S/c1-5-9-31(10-6-2)23-18-22(28-25(34)26-21-8-7-19(3)17-20(21)4)27-24(29-23)33-16-13-30-11-14-32-15-12-30/h7-8,17-18H,5-6,9-16H2,1-4H3,(H2,26,27,28,29,34)
InChIKeyYZXHDPADLXUDGY-UHFFFAOYSA-N
XLogP4.24
TPSA74.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.69
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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
6-(dipropylamino)-N'-(3-methylphenyl)-2-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide
CID 71193788
(1E)-1-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-2,3-dihydroinden-4-ol;ethane
CID 143341593
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
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
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
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-(2,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)thiourea
CID 28875101
(5E)-5-[[6-(dipropylamino)-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol
CID 143341512
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
2-methyl-4-(2-morpholin-4-ylethoxy)-N-propylaniline
CID 90993901
1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2,4-dimethylphenyl)-1-(2-morpholin-4-ylethyl)thiourea
CID 1141876

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]thiourea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]thiourea (CID 143450356) is 1-(2,4-dimethylphenyl)-3-[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]thiourea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]thiourea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]thiourea is CCCN(CCC)c1cc(NC(=S)Nc2ccc(C)cc2C)nc(OCCN2CCOCC2)n1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]thiourea?
The InChIKey is YZXHDPADLXUDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N6O2S/c1-5-9-31(10-6-2)23-18-22(28-25(34)26-21-8-7-19(3)17-20(21)4)27-24(29-23)33-16-13-30-11-14-32-15-12-30/h7-8,17-18H,5-6,9-16H2,1-4H3,(H2,26,27,28,29,34).
What are the key properties of 1-(2,4-dimethylphenyl)-3-[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]thiourea?
1-(2,4-dimethylphenyl)-3-[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]thiourea has a molecular weight of 486.69 g/mol, XLogP of 4.24, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]thiourea is sourced from PubChem (CID 143450356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).