1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-3-ethylthiourea

C15H24N6O2S — CID 100774008

IUPAC1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-3-ethylthiourea
SMILESCCNC(=S)Nc1nc(N2CCOCC2)cc(N2CCOCC2)n1
InChIInChI=1S/C15H24N6O2S/c1-2-16-15(24)19-14-17-12(20-3-7-22-8-4-20)11-13(18-14)21-5-9-23-10-6-21/h11H,2-10H2,1H3,(H2,16,17,18,19,24)
InChIKeyCDSQZPFRRCQYEM-UHFFFAOYSA-N
MW352.46 g/mol
LogP0.46
Rot. Bonds4

About 1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-3-ethylthiourea

1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-3-ethylthiourea (PubChem CID 100774008) has the molecular formula C15H24N6O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-3-ethylthiourea.

Molecular Properties

Compound Name1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-3-ethylthiourea
PubChem CID100774008
Molecular FormulaC15H24N6O2S
Molecular Weight352.46 g/mol
Exact Mass352.17
IUPAC Name1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-3-ethylthiourea
SMILESCCNC(=S)Nc1nc(N2CCOCC2)cc(N2CCOCC2)n1
InChIInChI=1S/C15H24N6O2S/c1-2-16-15(24)19-14-17-12(20-3-7-22-8-4-20)11-13(18-14)21-5-9-23-10-6-21/h11H,2-10H2,1H3,(H2,16,17,18,19,24)
InChIKeyCDSQZPFRRCQYEM-UHFFFAOYSA-N
XLogP0.46
TPSA74.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.46
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

1-ethyl-3-[4-(4-methylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-2-yl]thiourea
CID 100774013
1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-3-(2-morpholin-4-ylethyl)thiourea
CID 100777586
1-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-propylthiourea
CID 100774679
1-ethyl-3-[4-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidin-2-yl]thiourea
CID 100773876
1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-3-(2-morpholin-4-ylethyl)thiourea
CID 100777795
1-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-(2-methylpropyl)thiourea
CID 100775794
1-[(2-chlorophenyl)methyl]-3-(4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-2-yl)thiourea
CID 100781843
1-[4-(3,5-dimethylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidin-2-yl]-3-ethylthiourea
CID 133260721
1-[4,6-di(piperidin-1-yl)pyrimidin-2-yl]-3-(2-morpholin-4-ylethyl)thiourea
CID 100777554
1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-6-piperidin-1-ylpyrimidin-2-yl]-3-ethylthiourea
CID 100773967
1-(4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-2-yl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 100777951
1-(4-methoxy-6-morpholin-4-ylpyrimidin-2-yl)-3-prop-2-enylthiourea
CID 100780232

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-3-ethylthiourea?
The IUPAC name of 1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-3-ethylthiourea (CID 100774008) is 1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-3-ethylthiourea.
What is the SMILES notation for 1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-3-ethylthiourea?
The canonical SMILES for 1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-3-ethylthiourea is CCNC(=S)Nc1nc(N2CCOCC2)cc(N2CCOCC2)n1.
What is the InChIKey of 1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-3-ethylthiourea?
The InChIKey is CDSQZPFRRCQYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2S/c1-2-16-15(24)19-14-17-12(20-3-7-22-8-4-20)11-13(18-14)21-5-9-23-10-6-21/h11H,2-10H2,1H3,(H2,16,17,18,19,24).
What are the key properties of 1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-3-ethylthiourea?
1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-3-ethylthiourea has a molecular weight of 352.46 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-3-ethylthiourea is sourced from PubChem (CID 100774008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).