4-[4-(2-chlorophenyl)piperidin-4-yl]-N-pentylpyrimidin-2-amine

C20H27ClN4 — CID 70785441

IUPAC4-[4-(2-chlorophenyl)piperidin-4-yl]-N-pentylpyrimidin-2-amine
SMILESCCCCCNc1nccc(C2(c3ccccc3Cl)CCNCC2)n1
InChIInChI=1S/C20H27ClN4/c1-2-3-6-12-23-19-24-13-9-18(25-19)20(10-14-22-15-11-20)16-7-4-5-8-17(16)21/h4-5,7-9,13,22H,2-3,6,10-12,14-15H2,1H3,(H,23,24,25)
InChIKeyHJJDRLHBJJGRBA-UHFFFAOYSA-N
MW358.92 g/mol
LogP4.40
Rot. Bonds7

About 4-[4-(2-chlorophenyl)piperidin-4-yl]-N-pentylpyrimidin-2-amine

4-[4-(2-chlorophenyl)piperidin-4-yl]-N-pentylpyrimidin-2-amine (PubChem CID 70785441) has the molecular formula C20H27ClN4 and a molecular weight of 358.92 g/mol. Its IUPAC name is 4-[4-(2-chlorophenyl)piperidin-4-yl]-N-pentylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(2-chlorophenyl)piperidin-4-yl]-N-pentylpyrimidin-2-amine
PubChem CID70785441
Molecular FormulaC20H27ClN4
Molecular Weight358.92 g/mol
Exact Mass358.19
IUPAC Name4-[4-(2-chlorophenyl)piperidin-4-yl]-N-pentylpyrimidin-2-amine
SMILESCCCCCNc1nccc(C2(c3ccccc3Cl)CCNCC2)n1
InChIInChI=1S/C20H27ClN4/c1-2-3-6-12-23-19-24-13-9-18(25-19)20(10-14-22-15-11-20)16-7-4-5-8-17(16)21/h4-5,7-9,13,22H,2-3,6,10-12,14-15H2,1H3,(H,23,24,25)
InChIKeyHJJDRLHBJJGRBA-UHFFFAOYSA-N
XLogP4.40
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.92
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidin-2-yl]amino]butan-1-ol
CID 70779708
N-[4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 154894578
N-benzyl-4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidin-2-amine;dihydrochloride
CID 154894565
4-[4-(2-chlorophenyl)piperidin-4-yl]-N-piperidin-4-ylpyrimidin-2-amine
CID 70775017
4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(phenoxymethyl)pyrimidine;hydrochloride
CID 154894486
4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine;hydrochloride
CID 154894101
4-N-(2,3-dichlorophenyl)-2-N-pentylpyrimidine-2,4-diamine
CID 112900546
(3S)-1-[4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidin-2-yl]piperidin-3-ol
CID 95862936
4-methyl-N-octylpyrimidin-2-amine
CID 115568939
2-N-butyl-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine
CID 112883132
N-pentyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898903
4-N-[(4-chlorophenyl)methyl]-2-N-pentylpyrimidine-2,4-diamine
CID 112891913

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenyl)piperidin-4-yl]-N-pentylpyrimidin-2-amine?
The IUPAC name of 4-[4-(2-chlorophenyl)piperidin-4-yl]-N-pentylpyrimidin-2-amine (CID 70785441) is 4-[4-(2-chlorophenyl)piperidin-4-yl]-N-pentylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(2-chlorophenyl)piperidin-4-yl]-N-pentylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(2-chlorophenyl)piperidin-4-yl]-N-pentylpyrimidin-2-amine is CCCCCNc1nccc(C2(c3ccccc3Cl)CCNCC2)n1.
What is the InChIKey of 4-[4-(2-chlorophenyl)piperidin-4-yl]-N-pentylpyrimidin-2-amine?
The InChIKey is HJJDRLHBJJGRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4/c1-2-3-6-12-23-19-24-13-9-18(25-19)20(10-14-22-15-11-20)16-7-4-5-8-17(16)21/h4-5,7-9,13,22H,2-3,6,10-12,14-15H2,1H3,(H,23,24,25).
What are the key properties of 4-[4-(2-chlorophenyl)piperidin-4-yl]-N-pentylpyrimidin-2-amine?
4-[4-(2-chlorophenyl)piperidin-4-yl]-N-pentylpyrimidin-2-amine has a molecular weight of 358.92 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenyl)piperidin-4-yl]-N-pentylpyrimidin-2-amine is sourced from PubChem (CID 70785441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).