1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-3-thiophen-3-ylurea

C18H24N6O2S — CID 126777315

IUPAC1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-3-thiophen-3-ylurea
SMILESO=C(Nc1ccsc1)NC1CCCN(c2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C18H24N6O2S/c25-18(22-15-3-9-27-12-15)21-14-2-1-4-24(11-14)17-10-16(19-13-20-17)23-5-7-26-8-6-23/h3,9-10,12-14H,1-2,4-8,11H2,(H2,21,22,25)
InChIKeyHXRMSTGQOHAEBT-UHFFFAOYSA-N
MW388.50 g/mol
LogP2.17
Rot. Bonds4

About 1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-3-thiophen-3-ylurea

1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-3-thiophen-3-ylurea (PubChem CID 126777315) has the molecular formula C18H24N6O2S and a molecular weight of 388.50 g/mol. Its IUPAC name is 1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-3-thiophen-3-ylurea.

Molecular Properties

Compound Name1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-3-thiophen-3-ylurea
PubChem CID126777315
Molecular FormulaC18H24N6O2S
Molecular Weight388.50 g/mol
Exact Mass388.17
IUPAC Name1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-3-thiophen-3-ylurea
SMILESO=C(Nc1ccsc1)NC1CCCN(c2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C18H24N6O2S/c25-18(22-15-3-9-27-12-15)21-14-2-1-4-24(11-14)17-10-16(19-13-20-17)23-5-7-26-8-6-23/h3,9-10,12-14H,1-2,4-8,11H2,(H2,21,22,25)
InChIKeyHXRMSTGQOHAEBT-UHFFFAOYSA-N
XLogP2.17
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide
CID 126769937
(3S)-1-(6-morpholin-4-ylpyrimidin-4-yl)-N-phenylpiperidin-3-amine
CID 171084156
1-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-3-thiophen-3-ylurea
CID 128967383
5-[[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid
CID 122048024
2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]acetamide
CID 154849852
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 166409269
4-(thiophen-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 66355665
1-(4-methylphenyl)-3-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]urea
CID 53181789
2-ethoxy-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]acetamide
CID 53185796
[6-[(3R)-3-[(6-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]-3-pyridinyl]methanol
CID 177305968
(3R)-N-(1H-imidazol-2-ylmethyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-amine
CID 124559461
1-phenyl-3-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]urea
CID 53181782

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-3-thiophen-3-ylurea?
The IUPAC name of 1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-3-thiophen-3-ylurea (CID 126777315) is 1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-3-thiophen-3-ylurea.
What is the SMILES notation for 1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-3-thiophen-3-ylurea?
The canonical SMILES for 1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-3-thiophen-3-ylurea is O=C(Nc1ccsc1)NC1CCCN(c2cc(N3CCOCC3)ncn2)C1.
What is the InChIKey of 1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-3-thiophen-3-ylurea?
The InChIKey is HXRMSTGQOHAEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S/c25-18(22-15-3-9-27-12-15)21-14-2-1-4-24(11-14)17-10-16(19-13-20-17)23-5-7-26-8-6-23/h3,9-10,12-14H,1-2,4-8,11H2,(H2,21,22,25).
What are the key properties of 1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-3-thiophen-3-ylurea?
1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-3-thiophen-3-ylurea has a molecular weight of 388.50 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-3-thiophen-3-ylurea is sourced from PubChem (CID 126777315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).