1-N,1-dimethyl-3-N-(6-phenyl-2-piperidin-3-ylpyrimidin-4-yl)cyclohexa-3,5-diene-1,3-diamine

C23H29N5 — CID 175785622

IUPAC1-N,1-dimethyl-3-N-(6-phenyl-2-piperidin-3-ylpyrimidin-4-yl)cyclohexa-3,5-diene-1,3-diamine
SMILESCNC1(C)C=CC=C(Nc2cc(-c3ccccc3)nc(C3CCCNC3)n2)C1
InChIInChI=1S/C23H29N5/c1-23(24-2)12-6-11-19(15-23)26-21-14-20(17-8-4-3-5-9-17)27-22(28-21)18-10-7-13-25-16-18/h3-6,8-9,11-12,14,18,24-25H,7,10,13,15-16H2,1-2H3,(H,26,27,28)
InChIKeyXXHAQJOWQKOBBU-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.84
Rot. Bonds5

About 1-N,1-dimethyl-3-N-(6-phenyl-2-piperidin-3-ylpyrimidin-4-yl)cyclohexa-3,5-diene-1,3-diamine

1-N,1-dimethyl-3-N-(6-phenyl-2-piperidin-3-ylpyrimidin-4-yl)cyclohexa-3,5-diene-1,3-diamine (PubChem CID 175785622) has the molecular formula C23H29N5 and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-N,1-dimethyl-3-N-(6-phenyl-2-piperidin-3-ylpyrimidin-4-yl)cyclohexa-3,5-diene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-dimethyl-3-N-(6-phenyl-2-piperidin-3-ylpyrimidin-4-yl)cyclohexa-3,5-diene-1,3-diamine
PubChem CID175785622
Molecular FormulaC23H29N5
Molecular Weight375.52 g/mol
Exact Mass375.24
IUPAC Name1-N,1-dimethyl-3-N-(6-phenyl-2-piperidin-3-ylpyrimidin-4-yl)cyclohexa-3,5-diene-1,3-diamine
SMILESCNC1(C)C=CC=C(Nc2cc(-c3ccccc3)nc(C3CCCNC3)n2)C1
InChIInChI=1S/C23H29N5/c1-23(24-2)12-6-11-19(15-23)26-21-14-20(17-8-4-3-5-9-17)27-22(28-21)18-10-7-13-25-16-18/h3-6,8-9,11-12,14,18,24-25H,7,10,13,15-16H2,1-2H3,(H,26,27,28)
InChIKeyXXHAQJOWQKOBBU-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
N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine
CID 156544080
4-N,4-dimethyl-1-N-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)cyclohexa-1,5-diene-1,4-diamine
CID 150609627
N-(2-ethylphenyl)-2-[(3R)-piperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-amine
CID 124984466
4-(3-fluorophenyl)-6-methyl-2-[(3S)-piperidin-3-yl]pyrimidine
CID 124746275
4-cyclopentyl-6-methyl-2-piperidin-3-ylpyrimidine
CID 55203946
4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441
5-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 86326580
6-methyl-2-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 125027098
4,6-dimethyl-2-piperidin-3-ylpyrimidine;dihydrochloride
CID 71299007
4-(3-methylphenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62540732
4,5-dimethyl-N-[6-methyl-2-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 124978971

Frequently Asked Questions

What is the IUPAC name of 1-N,1-dimethyl-3-N-(6-phenyl-2-piperidin-3-ylpyrimidin-4-yl)cyclohexa-3,5-diene-1,3-diamine?
The IUPAC name of 1-N,1-dimethyl-3-N-(6-phenyl-2-piperidin-3-ylpyrimidin-4-yl)cyclohexa-3,5-diene-1,3-diamine (CID 175785622) is 1-N,1-dimethyl-3-N-(6-phenyl-2-piperidin-3-ylpyrimidin-4-yl)cyclohexa-3,5-diene-1,3-diamine.
What is the SMILES notation for 1-N,1-dimethyl-3-N-(6-phenyl-2-piperidin-3-ylpyrimidin-4-yl)cyclohexa-3,5-diene-1,3-diamine?
The canonical SMILES for 1-N,1-dimethyl-3-N-(6-phenyl-2-piperidin-3-ylpyrimidin-4-yl)cyclohexa-3,5-diene-1,3-diamine is CNC1(C)C=CC=C(Nc2cc(-c3ccccc3)nc(C3CCCNC3)n2)C1.
What is the InChIKey of 1-N,1-dimethyl-3-N-(6-phenyl-2-piperidin-3-ylpyrimidin-4-yl)cyclohexa-3,5-diene-1,3-diamine?
The InChIKey is XXHAQJOWQKOBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5/c1-23(24-2)12-6-11-19(15-23)26-21-14-20(17-8-4-3-5-9-17)27-22(28-21)18-10-7-13-25-16-18/h3-6,8-9,11-12,14,18,24-25H,7,10,13,15-16H2,1-2H3,(H,26,27,28).
What are the key properties of 1-N,1-dimethyl-3-N-(6-phenyl-2-piperidin-3-ylpyrimidin-4-yl)cyclohexa-3,5-diene-1,3-diamine?
1-N,1-dimethyl-3-N-(6-phenyl-2-piperidin-3-ylpyrimidin-4-yl)cyclohexa-3,5-diene-1,3-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 1-N,1-dimethyl-3-N-(6-phenyl-2-piperidin-3-ylpyrimidin-4-yl)cyclohexa-3,5-diene-1,3-diamine is sourced from PubChem (CID 175785622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).