[2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea

C17H26N6O2 — CID 56899620

IUPAC[2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea
SMILESCc1nc(C2CCCN(C(=O)CNC(N)=O)C2)cc(N2CCCC2)n1
InChIInChI=1S/C17H26N6O2/c1-12-20-14(9-15(21-12)22-6-2-3-7-22)13-5-4-8-23(11-13)16(24)10-19-17(18)25/h9,13H,2-8,10-11H2,1H3,(H3,18,19,25)
InChIKeyAUDXXRDADSACDF-UHFFFAOYSA-N
MW346.44 g/mol
LogP0.76
Rot. Bonds4

About [2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea

[2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea (PubChem CID 56899620) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is [2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea
PubChem CID56899620
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name[2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea
SMILESCc1nc(C2CCCN(C(=O)CNC(N)=O)C2)cc(N2CCCC2)n1
InChIInChI=1S/C17H26N6O2/c1-12-20-14(9-15(21-12)22-6-2-3-7-22)13-5-4-8-23(11-13)16(24)10-19-17(18)25/h9,13H,2-8,10-11H2,1H3,(H3,18,19,25)
InChIKeyAUDXXRDADSACDF-UHFFFAOYSA-N
XLogP0.76
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea?
The IUPAC name of [2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea (CID 56899620) is [2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for [2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea is Cc1nc(C2CCCN(C(=O)CNC(N)=O)C2)cc(N2CCCC2)n1.
What is the InChIKey of [2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea?
The InChIKey is AUDXXRDADSACDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-12-20-14(9-15(21-12)22-6-2-3-7-22)13-5-4-8-23(11-13)16(24)10-19-17(18)25/h9,13H,2-8,10-11H2,1H3,(H3,18,19,25).
What are the key properties of [2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea?
[2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea has a molecular weight of 346.44 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 56899620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).