2-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine

C19H26ClN5 — CID 134700179

IUPAC2-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine
SMILESCCN(C)c1ccnc(NC2CCN(Cc3ccccc3Cl)CC2)n1
InChIInChI=1S/C19H26ClN5/c1-3-24(2)18-8-11-21-19(23-18)22-16-9-12-25(13-10-16)14-15-6-4-5-7-17(15)20/h4-8,11,16H,3,9-10,12-14H2,1-2H3,(H,21,22,23)
InChIKeySOFQYZYVTGSEBD-UHFFFAOYSA-N
MW359.91 g/mol
LogP3.66
Rot. Bonds6

About 2-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine

2-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine (PubChem CID 134700179) has the molecular formula C19H26ClN5 and a molecular weight of 359.91 g/mol. Its IUPAC name is 2-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine
PubChem CID134700179
Molecular FormulaC19H26ClN5
Molecular Weight359.91 g/mol
Exact Mass359.19
IUPAC Name2-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine
SMILESCCN(C)c1ccnc(NC2CCN(Cc3ccccc3Cl)CC2)n1
InChIInChI=1S/C19H26ClN5/c1-3-24(2)18-8-11-21-19(23-18)22-16-9-12-25(13-10-16)14-15-6-4-5-7-17(15)20/h4-8,11,16H,3,9-10,12-14H2,1-2H3,(H,21,22,23)
InChIKeySOFQYZYVTGSEBD-UHFFFAOYSA-N
XLogP3.66
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.91
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine with MolForge

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidin-4-amine
CID 3362451
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
4-N-benzyl-2-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine
CID 112884942
2-N-cyclopentyl-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112884385
N-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidin-2-amine
CID 172891915
5-bromo-N-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]-4-methylpyrimidin-2-amine
CID 59744262
2-N-(1-benzylpiperidin-4-yl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 70694566
[1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-methylcarbamate
CID 91291495
2-N-(4-aminocyclohexyl)-6-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-9-cyclopentylpurine-2,6-diamine
CID 22896351
1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)urea
CID 46988709
4-N-benzyl-2-N-cyclopentyl-4-N-ethylpyrimidine-2,4-diamine
CID 112884331
4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 117092145

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine (CID 134700179) is 2-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine is CCN(C)c1ccnc(NC2CCN(Cc3ccccc3Cl)CC2)n1.
What is the InChIKey of 2-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is SOFQYZYVTGSEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5/c1-3-24(2)18-8-11-21-19(23-18)22-16-9-12-25(13-10-16)14-15-6-4-5-7-17(15)20/h4-8,11,16H,3,9-10,12-14H2,1-2H3,(H,21,22,23).
What are the key properties of 2-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine?
2-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 359.91 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 134700179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).