4-N,4-dimethyl-1-N-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)cyclohexa-1,5-diene-1,4-diamine

C23H29N5 — CID 150609627

IUPAC4-N,4-dimethyl-1-N-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)cyclohexa-1,5-diene-1,4-diamine
SMILESCNC1(C)C=CC(Nc2cc(-c3ccccc3)nc(C3CCNCC3)n2)=CC1
InChIInChI=1S/C23H29N5/c1-23(24-2)12-8-19(9-13-23)26-21-16-20(17-6-4-3-5-7-17)27-22(28-21)18-10-14-25-15-11-18/h3-9,12,16,18,24-25H,10-11,13-15H2,1-2H3,(H,26,27,28)
InChIKeyITPJFUMVSQGMAG-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.84
Rot. Bonds5

About 4-N,4-dimethyl-1-N-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)cyclohexa-1,5-diene-1,4-diamine

4-N,4-dimethyl-1-N-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)cyclohexa-1,5-diene-1,4-diamine (PubChem CID 150609627) has the molecular formula C23H29N5 and a molecular weight of 375.52 g/mol. Its IUPAC name is 4-N,4-dimethyl-1-N-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)cyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-dimethyl-1-N-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)cyclohexa-1,5-diene-1,4-diamine
PubChem CID150609627
Molecular FormulaC23H29N5
Molecular Weight375.52 g/mol
Exact Mass375.24
IUPAC Name4-N,4-dimethyl-1-N-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)cyclohexa-1,5-diene-1,4-diamine
SMILESCNC1(C)C=CC(Nc2cc(-c3ccccc3)nc(C3CCNCC3)n2)=CC1
InChIInChI=1S/C23H29N5/c1-23(24-2)12-8-19(9-13-23)26-21-16-20(17-6-4-3-5-7-17)27-22(28-21)18-10-14-25-15-11-18/h3-9,12,16,18,24-25H,10-11,13-15H2,1-2H3,(H,26,27,28)
InChIKeyITPJFUMVSQGMAG-UHFFFAOYSA-N
XLogP3.84
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,4-dimethyl-1-N-(6-phenyl-2-piperidin-3-ylpyrimidin-4-yl)cyclohexa-1,5-diene-1,4-diamine
CID 150651789
1-N,1-dimethyl-3-N-(6-phenyl-2-piperidin-3-ylpyrimidin-4-yl)cyclohexa-3,5-diene-1,3-diamine
CID 175785622
N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine
CID 156544080
4-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)morpholine;dihydrochloride
CID 165432105
2-ethyl-6-phenyl-N-piperidin-4-ylpyrimidin-4-amine
CID 56767062
6-(3-piperidin-4-ylphenyl)-N-pyridin-2-ylpyridin-2-amine
CID 66836931
2-cyclopropyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 80956706
3-phenyl-5-piperidin-4-yl-1,2-oxazole
CID 59732015
N-methyl-6-phenyl-2-(thiolan-2-yl)pyrimidin-4-amine
CID 80638958
4-cyclopropyl-6-ethyl-2-piperidin-4-ylpyrimidine
CID 55206429
4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride
CID 50988268
N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline
CID 154955110

Frequently Asked Questions

What is the IUPAC name of 4-N,4-dimethyl-1-N-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)cyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 4-N,4-dimethyl-1-N-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)cyclohexa-1,5-diene-1,4-diamine (CID 150609627) is 4-N,4-dimethyl-1-N-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)cyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 4-N,4-dimethyl-1-N-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)cyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 4-N,4-dimethyl-1-N-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)cyclohexa-1,5-diene-1,4-diamine is CNC1(C)C=CC(Nc2cc(-c3ccccc3)nc(C3CCNCC3)n2)=CC1.
What is the InChIKey of 4-N,4-dimethyl-1-N-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)cyclohexa-1,5-diene-1,4-diamine?
The InChIKey is ITPJFUMVSQGMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5/c1-23(24-2)12-8-19(9-13-23)26-21-16-20(17-6-4-3-5-7-17)27-22(28-21)18-10-14-25-15-11-18/h3-9,12,16,18,24-25H,10-11,13-15H2,1-2H3,(H,26,27,28).
What are the key properties of 4-N,4-dimethyl-1-N-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)cyclohexa-1,5-diene-1,4-diamine?
4-N,4-dimethyl-1-N-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)cyclohexa-1,5-diene-1,4-diamine has a molecular weight of 375.52 g/mol, XLogP of 3.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-dimethyl-1-N-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)cyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 150609627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).