N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine

C23H22N6 — CID 16662853

IUPACN-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(Nc2ncccc2CC(c2cccnc2)c2cccnc2)nc(C)n1
InChIInChI=1S/C23H22N6/c1-16-12-22(28-17(2)27-16)29-23-18(6-5-11-26-23)13-21(19-7-3-9-24-14-19)20-8-4-10-25-15-20/h3-12,14-15,21H,13H2,1-2H3,(H,26,27,28,29)
InChIKeyKEAUGKZFCFBPCR-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.40
Rot. Bonds6

About N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine

N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine (PubChem CID 16662853) has the molecular formula C23H22N6 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine
PubChem CID16662853
Molecular FormulaC23H22N6
Molecular Weight382.47 g/mol
Exact Mass382.19
IUPAC NameN-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(Nc2ncccc2CC(c2cccnc2)c2cccnc2)nc(C)n1
InChIInChI=1S/C23H22N6/c1-16-12-22(28-17(2)27-16)29-23-18(6-5-11-26-23)13-21(19-7-3-9-24-14-19)20-8-4-10-25-15-20/h3-12,14-15,21H,13H2,1-2H3,(H,26,27,28,29)
InChIKeyKEAUGKZFCFBPCR-UHFFFAOYSA-N
XLogP4.40
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]quinoxalin-6-amine
CID 16662857
3-(2,2-dipyridin-3-ylethyl)-2-(4-methylphenyl)pyridine
CID 66829361
3-(2,2-dipyridin-3-ylethyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 16663116
2-(4-chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829368
3-(2,2-dipyridin-3-ylethyl)-2-(4-fluoro-2-methylphenyl)pyridine
CID 66829446
2-N-[2-(2,2-dipyridin-3-ylethyl)phenyl]pyridine-2,5-diamine
CID 16662311
3-(2,2-dipyridin-3-ylethyl)-N-ethyl-N-pyridin-3-ylpyridin-2-amine
CID 16662535
4-N-(3-dimethylphosphoryl-2-pyridinyl)-6-N-(2,6-dimethylpyrimidin-4-yl)pyrimidine-4,6-diamine
CID 168859231
3-(2,2-dipyridin-3-ylethyl)-N-methyl-N-pyridin-2-ylpyridin-2-amine
CID 16662379
3-(2,2-dipyridin-3-ylethyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]pyridine
CID 67265206
3-(2,2-dipyridin-3-ylethyl)-2-[(3R)-3-methoxypyrrolidin-1-yl]pyridine
CID 66830725
2-(cyclohexen-1-yl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829358

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine (CID 16662853) is N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine is Cc1cc(Nc2ncccc2CC(c2cccnc2)c2cccnc2)nc(C)n1.
What is the InChIKey of N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine?
The InChIKey is KEAUGKZFCFBPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6/c1-16-12-22(28-17(2)27-16)29-23-18(6-5-11-26-23)13-21(19-7-3-9-24-14-19)20-8-4-10-25-15-20/h3-12,14-15,21H,13H2,1-2H3,(H,26,27,28,29).
What are the key properties of N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine?
N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine has a molecular weight of 382.47 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 16662853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).