1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea

C17H27N5O — CID 166606133

IUPAC1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea
SMILESCc1cc(N2CCCC(N(C)C(=O)N(C)C)C2)nc(C2CC2)n1
InChIInChI=1S/C17H27N5O/c1-12-10-15(19-16(18-12)13-7-8-13)22-9-5-6-14(11-22)21(4)17(23)20(2)3/h10,13-14H,5-9,11H2,1-4H3
InChIKeyLGJKOMLHDKGATH-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.24
Rot. Bonds3

About 1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea

1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea (PubChem CID 166606133) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea
PubChem CID166606133
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea
SMILESCc1cc(N2CCCC(N(C)C(=O)N(C)C)C2)nc(C2CC2)n1
InChIInChI=1S/C17H27N5O/c1-12-10-15(19-16(18-12)13-7-8-13)22-9-5-6-14(11-22)21(4)17(23)20(2)3/h10,13-14H,5-9,11H2,1-4H3
InChIKeyLGJKOMLHDKGATH-UHFFFAOYSA-N
XLogP2.24
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea?
The IUPAC name of 1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea (CID 166606133) is 1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea.
What is the SMILES notation for 1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea?
The canonical SMILES for 1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea is Cc1cc(N2CCCC(N(C)C(=O)N(C)C)C2)nc(C2CC2)n1.
What is the InChIKey of 1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea?
The InChIKey is LGJKOMLHDKGATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-12-10-15(19-16(18-12)13-7-8-13)22-9-5-6-14(11-22)21(4)17(23)20(2)3/h10,13-14H,5-9,11H2,1-4H3.
What are the key properties of 1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea?
1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea has a molecular weight of 317.44 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea is sourced from PubChem (CID 166606133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).