1-ethyl-3-[4-(4-methylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-2-yl]thiourea

C17H28N6OS — CID 100774013

IUPAC1-ethyl-3-[4-(4-methylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-2-yl]thiourea
SMILESCCNC(=S)Nc1nc(N2CCOCC2)cc(N2CCC(C)CC2)n1
InChIInChI=1S/C17H28N6OS/c1-3-18-17(25)21-16-19-14(22-6-4-13(2)5-7-22)12-15(20-16)23-8-10-24-11-9-23/h12-13H,3-11H2,1-2H3,(H2,18,19,20,21,25)
InChIKeyCNPCXFLVWBFYCK-UHFFFAOYSA-N
MW364.52 g/mol
LogP1.86
Rot. Bonds4

About 1-ethyl-3-[4-(4-methylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-2-yl]thiourea

1-ethyl-3-[4-(4-methylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-2-yl]thiourea (PubChem CID 100774013) has the molecular formula C17H28N6OS and a molecular weight of 364.52 g/mol. Its IUPAC name is 1-ethyl-3-[4-(4-methylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-2-yl]thiourea.

Molecular Properties

Compound Name1-ethyl-3-[4-(4-methylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-2-yl]thiourea
PubChem CID100774013
Molecular FormulaC17H28N6OS
Molecular Weight364.52 g/mol
Exact Mass364.20
IUPAC Name1-ethyl-3-[4-(4-methylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-2-yl]thiourea
SMILESCCNC(=S)Nc1nc(N2CCOCC2)cc(N2CCC(C)CC2)n1
InChIInChI=1S/C17H28N6OS/c1-3-18-17(25)21-16-19-14(22-6-4-13(2)5-7-22)12-15(20-16)23-8-10-24-11-9-23/h12-13H,3-11H2,1-2H3,(H2,18,19,20,21,25)
InChIKeyCNPCXFLVWBFYCK-UHFFFAOYSA-N
XLogP1.86
TPSA65.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-[4-(4-methylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-2-yl]thiourea 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

1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-3-ethylthiourea
CID 100774008
1-ethyl-3-[4-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidin-2-yl]thiourea
CID 100773876
1-ethyl-3-[4-[(2R)-2-methylpiperidin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]thiourea
CID 125048480
1-[4,6-bis(4-methylpiperidin-1-yl)pyrimidin-2-yl]-3-(2-methylpropyl)thiourea
CID 100775821
1-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-propylthiourea
CID 100774679
1-[4-[(2S)-2-methylpiperidin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]-3-(2-morpholin-4-ylethyl)thiourea
CID 100777637
1-[[1-(4-chlorophenyl)cyclopentyl]methyl]-3-[4-(4-methylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-2-yl]thiourea
CID 100786639
1-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-(2-methylpropyl)thiourea
CID 100775794
1-[4-(3,5-dimethylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidin-2-yl]-3-ethylthiourea
CID 133260721
1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-6-piperidin-1-ylpyrimidin-2-yl]-3-ethylthiourea
CID 100773967
1-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-(2-morpholin-4-ylethyl)thiourea
CID 100777604
1-[4,6-bis(4-methylpiperidin-1-yl)pyrimidin-2-yl]-3-(3-methoxypropyl)thiourea
CID 100777257

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-(4-methylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-2-yl]thiourea?
The IUPAC name of 1-ethyl-3-[4-(4-methylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-2-yl]thiourea (CID 100774013) is 1-ethyl-3-[4-(4-methylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-2-yl]thiourea.
What is the SMILES notation for 1-ethyl-3-[4-(4-methylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-2-yl]thiourea?
The canonical SMILES for 1-ethyl-3-[4-(4-methylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-2-yl]thiourea is CCNC(=S)Nc1nc(N2CCOCC2)cc(N2CCC(C)CC2)n1.
What is the InChIKey of 1-ethyl-3-[4-(4-methylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-2-yl]thiourea?
The InChIKey is CNPCXFLVWBFYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6OS/c1-3-18-17(25)21-16-19-14(22-6-4-13(2)5-7-22)12-15(20-16)23-8-10-24-11-9-23/h12-13H,3-11H2,1-2H3,(H2,18,19,20,21,25).
What are the key properties of 1-ethyl-3-[4-(4-methylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-2-yl]thiourea?
1-ethyl-3-[4-(4-methylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-2-yl]thiourea has a molecular weight of 364.52 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-(4-methylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-2-yl]thiourea is sourced from PubChem (CID 100774013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).