[1-(2-butyl-6-methylpyrimidin-4-yl)piperidin-4-yl]carbamic acid

C15H24N4O2 — CID 68579922

IUPAC[1-(2-butyl-6-methylpyrimidin-4-yl)piperidin-4-yl]carbamic acid
SMILESCCCCc1nc(C)cc(N2CCC(NC(=O)O)CC2)n1
InChIInChI=1S/C15H24N4O2/c1-3-4-5-13-16-11(2)10-14(18-13)19-8-6-12(7-9-19)17-15(20)21/h10,12,17H,3-9H2,1-2H3,(H,20,21)
InChIKeyRQRUTPLUXNFWQZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.36
Rot. Bonds5

About [1-(2-butyl-6-methylpyrimidin-4-yl)piperidin-4-yl]carbamic acid

[1-(2-butyl-6-methylpyrimidin-4-yl)piperidin-4-yl]carbamic acid (PubChem CID 68579922) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is [1-(2-butyl-6-methylpyrimidin-4-yl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(2-butyl-6-methylpyrimidin-4-yl)piperidin-4-yl]carbamic acid
PubChem CID68579922
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name[1-(2-butyl-6-methylpyrimidin-4-yl)piperidin-4-yl]carbamic acid
SMILESCCCCc1nc(C)cc(N2CCC(NC(=O)O)CC2)n1
InChIInChI=1S/C15H24N4O2/c1-3-4-5-13-16-11(2)10-14(18-13)19-8-6-12(7-9-19)17-15(20)21/h10,12,17H,3-9H2,1-2H3,(H,20,21)
InChIKeyRQRUTPLUXNFWQZ-UHFFFAOYSA-N
XLogP2.36
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-butyl-6-methylpyrimidin-4-yl)piperidin-4-yl]carbamic acid?
The IUPAC name of [1-(2-butyl-6-methylpyrimidin-4-yl)piperidin-4-yl]carbamic acid (CID 68579922) is [1-(2-butyl-6-methylpyrimidin-4-yl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-(2-butyl-6-methylpyrimidin-4-yl)piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-(2-butyl-6-methylpyrimidin-4-yl)piperidin-4-yl]carbamic acid is CCCCc1nc(C)cc(N2CCC(NC(=O)O)CC2)n1.
What is the InChIKey of [1-(2-butyl-6-methylpyrimidin-4-yl)piperidin-4-yl]carbamic acid?
The InChIKey is RQRUTPLUXNFWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-4-5-13-16-11(2)10-14(18-13)19-8-6-12(7-9-19)17-15(20)21/h10,12,17H,3-9H2,1-2H3,(H,20,21).
What are the key properties of [1-(2-butyl-6-methylpyrimidin-4-yl)piperidin-4-yl]carbamic acid?
[1-(2-butyl-6-methylpyrimidin-4-yl)piperidin-4-yl]carbamic acid has a molecular weight of 292.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-butyl-6-methylpyrimidin-4-yl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 68579922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).