1,1,3-trimethyl-3-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]urea

C14H23N5O — CID 166603310

IUPAC1,1,3-trimethyl-3-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]urea
SMILESCc1nccc(N2CCC(N(C)C(=O)N(C)C)CC2)n1
InChIInChI=1S/C14H23N5O/c1-11-15-8-5-13(16-11)19-9-6-12(7-10-19)18(4)14(20)17(2)3/h5,8,12H,6-7,9-10H2,1-4H3
InChIKeyADGFBABOMWVJHC-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.37
Rot. Bonds2

About 1,1,3-trimethyl-3-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]urea

1,1,3-trimethyl-3-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]urea (PubChem CID 166603310) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1,1,3-trimethyl-3-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]urea
PubChem CID166603310
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1,1,3-trimethyl-3-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]urea
SMILESCc1nccc(N2CCC(N(C)C(=O)N(C)C)CC2)n1
InChIInChI=1S/C14H23N5O/c1-11-15-8-5-13(16-11)19-9-6-12(7-10-19)18(4)14(20)17(2)3/h5,8,12H,6-7,9-10H2,1-4H3
InChIKeyADGFBABOMWVJHC-UHFFFAOYSA-N
XLogP1.37
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-3-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]urea?
The IUPAC name of 1,1,3-trimethyl-3-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]urea (CID 166603310) is 1,1,3-trimethyl-3-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]urea.
What is the SMILES notation for 1,1,3-trimethyl-3-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]urea?
The canonical SMILES for 1,1,3-trimethyl-3-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]urea is Cc1nccc(N2CCC(N(C)C(=O)N(C)C)CC2)n1.
What is the InChIKey of 1,1,3-trimethyl-3-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]urea?
The InChIKey is ADGFBABOMWVJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11-15-8-5-13(16-11)19-9-6-12(7-10-19)18(4)14(20)17(2)3/h5,8,12H,6-7,9-10H2,1-4H3.
What are the key properties of 1,1,3-trimethyl-3-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]urea?
1,1,3-trimethyl-3-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]urea has a molecular weight of 277.37 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]urea is sourced from PubChem (CID 166603310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).