[2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea

C17H26N6O3 — CID 56901937

IUPAC[2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea
SMILESCc1nc(C2CCN(C(=O)CNC(N)=O)CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C17H26N6O3/c1-12-20-14(10-15(21-12)22-6-8-26-9-7-22)13-2-4-23(5-3-13)16(24)11-19-17(18)25/h10,13H,2-9,11H2,1H3,(H3,18,19,25)
InChIKeyZOIYUDCWEPTHPP-UHFFFAOYSA-N
MW362.43 g/mol
LogP-0.00
Rot. Bonds4

About [2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea

[2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea (PubChem CID 56901937) has the molecular formula C17H26N6O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is [2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea
PubChem CID56901937
Molecular FormulaC17H26N6O3
Molecular Weight362.43 g/mol
Exact Mass362.21
IUPAC Name[2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea
SMILESCc1nc(C2CCN(C(=O)CNC(N)=O)CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C17H26N6O3/c1-12-20-14(10-15(21-12)22-6-8-26-9-7-22)13-2-4-23(5-3-13)16(24)11-19-17(18)25/h10,13H,2-9,11H2,1H3,(H3,18,19,25)
InChIKeyZOIYUDCWEPTHPP-UHFFFAOYSA-N
XLogP-0.00
TPSA113.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea?
The IUPAC name of [2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea (CID 56901937) is [2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for [2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea is Cc1nc(C2CCN(C(=O)CNC(N)=O)CC2)cc(N2CCOCC2)n1.
What is the InChIKey of [2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea?
The InChIKey is ZOIYUDCWEPTHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O3/c1-12-20-14(10-15(21-12)22-6-8-26-9-7-22)13-2-4-23(5-3-13)16(24)11-19-17(18)25/h10,13H,2-9,11H2,1H3,(H3,18,19,25).
What are the key properties of [2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea?
[2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea has a molecular weight of 362.43 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 56901937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).