1-N-[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine

C24H29N5 — CID 112900775

IUPAC1-N-[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(Nc2nccc(N3CCC(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C24H29N5/c1-28(2)22-10-8-21(9-11-22)26-24-25-15-12-23(27-24)29-16-13-20(14-17-29)18-19-6-4-3-5-7-19/h3-12,15,20H,13-14,16-18H2,1-2H3,(H,25,26,27)
InChIKeyZDMBIKDPLQEPMW-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.75
Rot. Bonds6

About 1-N-[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 112900775) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is 1-N-[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID112900775
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC Name1-N-[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(Nc2nccc(N3CCC(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C24H29N5/c1-28(2)22-10-8-21(9-11-22)26-24-25-15-12-23(27-24)29-16-13-20(14-17-29)18-19-6-4-3-5-7-19/h3-12,15,20H,13-14,16-18H2,1-2H3,(H,25,26,27)
InChIKeyZDMBIKDPLQEPMW-UHFFFAOYSA-N
XLogP4.75
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883410
4-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-2-amine
CID 112925823
benzyl-[2-[1-[2-(pyridin-4-ylamino)pyrimidin-4-yl]piperidin-4-yl]ethyl]carbamic acid
CID 155099792
4-N,4-N-diethyl-1-N-(4-pyrrolidin-1-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 112883943
2-(4-benzylpiperidin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 112883873
4-N,4-N-diethyl-1-N-(4-piperidin-1-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 112884574
6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine
CID 112876447
1-N-[5-(4-benzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 112955359
N-(4-tert-butylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885157
4-(4-benzylpiperidin-1-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine
CID 112888435
N-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884582
2-(4-benzylpiperidin-1-yl)-N-methyl-N-phenylpyrimidin-4-amine
CID 112900795

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 112900775) is 1-N-[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine is CN(C)c1ccc(Nc2nccc(N3CCC(Cc4ccccc4)CC3)n2)cc1.
What is the InChIKey of 1-N-[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is ZDMBIKDPLQEPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-28(2)22-10-8-21(9-11-22)26-24-25-15-12-23(27-24)29-16-13-20(14-17-29)18-19-6-4-3-5-7-19/h3-12,15,20H,13-14,16-18H2,1-2H3,(H,25,26,27).
What are the key properties of 1-N-[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 387.53 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 112900775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).