1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-3-(2-morpholin-4-ylethyl)thiourea

C16H26N6O2S — CID 100777795

IUPAC1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-3-(2-morpholin-4-ylethyl)thiourea
SMILESCc1cc(N2CCOCC2)nc(NC(=S)NCCN2CCOCC2)n1
InChIInChI=1S/C16H26N6O2S/c1-13-12-14(22-6-10-24-11-7-22)19-15(18-13)20-16(25)17-2-3-21-4-8-23-9-5-21/h12H,2-11H2,1H3,(H2,17,18,19,20,25)
InChIKeyKPLOURASXMKFHO-UHFFFAOYSA-N
MW366.49 g/mol
LogP0.24
Rot. Bonds5

About 1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-3-(2-morpholin-4-ylethyl)thiourea

1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-3-(2-morpholin-4-ylethyl)thiourea (PubChem CID 100777795) has the molecular formula C16H26N6O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-3-(2-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-3-(2-morpholin-4-ylethyl)thiourea
PubChem CID100777795
Molecular FormulaC16H26N6O2S
Molecular Weight366.49 g/mol
Exact Mass366.18
IUPAC Name1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-3-(2-morpholin-4-ylethyl)thiourea
SMILESCc1cc(N2CCOCC2)nc(NC(=S)NCCN2CCOCC2)n1
InChIInChI=1S/C16H26N6O2S/c1-13-12-14(22-6-10-24-11-7-22)19-15(18-13)20-16(25)17-2-3-21-4-8-23-9-5-21/h12H,2-11H2,1H3,(H2,17,18,19,20,25)
InChIKeyKPLOURASXMKFHO-UHFFFAOYSA-N
XLogP0.24
TPSA74.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 50.24
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

1-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-3-(2-morpholin-4-ylethyl)thiourea
CID 100777586
1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-3-(2-morpholin-4-ylethyl)thiourea
CID 100777866
1-[4,6-di(piperidin-1-yl)pyrimidin-2-yl]-3-(2-morpholin-4-ylethyl)thiourea
CID 100777554
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-methyl-6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-3-(2-morpholin-4-ylethyl)thiourea
CID 100777803
1-[4-(3,5-dimethylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidin-2-yl]-3-(2-morpholin-4-ylethyl)thiourea
CID 133254402
1-[4,6-bis[(3S)-3-methylpiperidin-1-yl]pyrimidin-2-yl]-3-(2-morpholin-4-ylethyl)thiourea
CID 125048634
1-[4-[(3R)-3-methylpiperidin-1-yl]-6-piperidin-1-ylpyrimidin-2-yl]-3-(2-morpholin-4-ylethyl)thiourea
CID 100777560
1-[4-(azepan-1-yl)-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrimidin-2-yl]-3-(2-morpholin-4-ylethyl)thiourea
CID 100777730
1-tert-butyl-3-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)thiourea
CID 100776557
1-[(4-methoxyphenyl)methyl]-3-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)thiourea
CID 100781282
1-[4-(1,3-dihydroisoindol-2-yl)-6-piperidin-1-ylpyrimidin-2-yl]-3-(2-morpholin-4-ylethyl)thiourea
CID 100777578

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-3-(2-morpholin-4-ylethyl)thiourea?
The IUPAC name of 1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-3-(2-morpholin-4-ylethyl)thiourea (CID 100777795) is 1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-3-(2-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-3-(2-morpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-3-(2-morpholin-4-ylethyl)thiourea is Cc1cc(N2CCOCC2)nc(NC(=S)NCCN2CCOCC2)n1.
What is the InChIKey of 1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-3-(2-morpholin-4-ylethyl)thiourea?
The InChIKey is KPLOURASXMKFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2S/c1-13-12-14(22-6-10-24-11-7-22)19-15(18-13)20-16(25)17-2-3-21-4-8-23-9-5-21/h12H,2-11H2,1H3,(H2,17,18,19,20,25).
What are the key properties of 1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-3-(2-morpholin-4-ylethyl)thiourea?
1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-3-(2-morpholin-4-ylethyl)thiourea has a molecular weight of 366.49 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-3-(2-morpholin-4-ylethyl)thiourea is sourced from PubChem (CID 100777795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).