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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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).