1-[[(2R)-1-butylpiperidin-2-yl]methyl]-3-[(2,6-dimethylpyrimidin-4-yl)methyl]urea

C18H31N5O — CID 124880993

IUPAC1-[[(2R)-1-butylpiperidin-2-yl]methyl]-3-[(2,6-dimethylpyrimidin-4-yl)methyl]urea
SMILESCCCCN1CCCC[C@@H]1CNC(=O)NCc1cc(C)nc(C)n1
InChIInChI=1S/C18H31N5O/c1-4-5-9-23-10-7-6-8-17(23)13-20-18(24)19-12-16-11-14(2)21-15(3)22-16/h11,17H,4-10,12-13H2,1-3H3,(H2,19,20,24)/t17-/m1/s1
InChIKeyLDFJBQJZPQBRQL-QGZVFWFLSA-N
MW333.48 g/mol
LogP2.55
Rot. Bonds7

About 1-[[(2R)-1-butylpiperidin-2-yl]methyl]-3-[(2,6-dimethylpyrimidin-4-yl)methyl]urea

1-[[(2R)-1-butylpiperidin-2-yl]methyl]-3-[(2,6-dimethylpyrimidin-4-yl)methyl]urea (PubChem CID 124880993) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-[[(2R)-1-butylpiperidin-2-yl]methyl]-3-[(2,6-dimethylpyrimidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[[(2R)-1-butylpiperidin-2-yl]methyl]-3-[(2,6-dimethylpyrimidin-4-yl)methyl]urea
PubChem CID124880993
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name1-[[(2R)-1-butylpiperidin-2-yl]methyl]-3-[(2,6-dimethylpyrimidin-4-yl)methyl]urea
SMILESCCCCN1CCCC[C@@H]1CNC(=O)NCc1cc(C)nc(C)n1
InChIInChI=1S/C18H31N5O/c1-4-5-9-23-10-7-6-8-17(23)13-20-18(24)19-12-16-11-14(2)21-15(3)22-16/h11,17H,4-10,12-13H2,1-3H3,(H2,19,20,24)/t17-/m1/s1
InChIKeyLDFJBQJZPQBRQL-QGZVFWFLSA-N
XLogP2.55
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(2R)-1-butylpiperidin-2-yl]methyl]-3-[(2,6-dimethylpyrimidin-4-yl)methyl]urea with MolForge

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Related Compounds

1-[(1-butylpiperidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438758
1-[(1-butylpiperidin-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111506154
1-[(1-butylpiperidin-2-yl)methyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]urea
CID 86953624
N-[[(2S)-1-butylpiperidin-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 52505352
1-[(1-butylpiperidin-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122001414
4-[[(1-butylpiperidin-2-yl)methylamino]methyl]benzoic acid
CID 122031194
acetic acid;1-butyl-2-ethylpiperidine
CID 175583343
6-ethyl-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 133460649
1-[(1-butylpiperidin-2-yl)methyl]-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylguanidine;hydroiodide
CID 111280770
6-[(1-butylpiperidin-2-yl)methylamino]-N-methylpyridazine-3-carboxamide
CID 133343187
N-[[(2R)-1-butylpiperidin-2-yl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 52505259
4-[[[N-[(1-butylpiperidin-2-yl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111874002

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-1-butylpiperidin-2-yl]methyl]-3-[(2,6-dimethylpyrimidin-4-yl)methyl]urea?
The IUPAC name of 1-[[(2R)-1-butylpiperidin-2-yl]methyl]-3-[(2,6-dimethylpyrimidin-4-yl)methyl]urea (CID 124880993) is 1-[[(2R)-1-butylpiperidin-2-yl]methyl]-3-[(2,6-dimethylpyrimidin-4-yl)methyl]urea.
What is the SMILES notation for 1-[[(2R)-1-butylpiperidin-2-yl]methyl]-3-[(2,6-dimethylpyrimidin-4-yl)methyl]urea?
The canonical SMILES for 1-[[(2R)-1-butylpiperidin-2-yl]methyl]-3-[(2,6-dimethylpyrimidin-4-yl)methyl]urea is CCCCN1CCCC[C@@H]1CNC(=O)NCc1cc(C)nc(C)n1.
What is the InChIKey of 1-[[(2R)-1-butylpiperidin-2-yl]methyl]-3-[(2,6-dimethylpyrimidin-4-yl)methyl]urea?
The InChIKey is LDFJBQJZPQBRQL-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H31N5O/c1-4-5-9-23-10-7-6-8-17(23)13-20-18(24)19-12-16-11-14(2)21-15(3)22-16/h11,17H,4-10,12-13H2,1-3H3,(H2,19,20,24)/t17-/m1/s1.
What are the key properties of 1-[[(2R)-1-butylpiperidin-2-yl]methyl]-3-[(2,6-dimethylpyrimidin-4-yl)methyl]urea?
1-[[(2R)-1-butylpiperidin-2-yl]methyl]-3-[(2,6-dimethylpyrimidin-4-yl)methyl]urea has a molecular weight of 333.48 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-1-butylpiperidin-2-yl]methyl]-3-[(2,6-dimethylpyrimidin-4-yl)methyl]urea is sourced from PubChem (CID 124880993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).