4,6-dimethyl-N-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]pyridin-2-amine

C54H70N6 — CID 139207006

IUPAC4,6-dimethyl-N-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]pyridin-2-amine
SMILESCc1cc(C)nc(Nc2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)n2)c1.Cc1cc(C)nc(Nc2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)n2)c1
InChIInChI=1S/2C27H35N3/c2*1-16(2)21-14-22(17(3)4)27(23(15-21)18(5)6)24-10-9-11-25(29-24)30-26-13-19(7)12-20(8)28-26/h2*9-18H,1-8H3,(H,28,29,30)
InChIKeyOODAYNNAYRPWQR-UHFFFAOYSA-N
MW803.20 g/mol
LogP15.75
Rot. Bonds12

About 4,6-dimethyl-N-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]pyridin-2-amine

4,6-dimethyl-N-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]pyridin-2-amine (PubChem CID 139207006) has the molecular formula C54H70N6 and a molecular weight of 803.20 g/mol. Its IUPAC name is 4,6-dimethyl-N-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]pyridin-2-amine
PubChem CID139207006
Molecular FormulaC54H70N6
Molecular Weight803.20 g/mol
Exact Mass802.57
IUPAC Name4,6-dimethyl-N-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]pyridin-2-amine
SMILESCc1cc(C)nc(Nc2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)n2)c1.Cc1cc(C)nc(Nc2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)n2)c1
InChIInChI=1S/2C27H35N3/c2*1-16(2)21-14-22(17(3)4)27(23(15-21)18(5)6)24-10-9-11-25(29-24)30-26-13-19(7)12-20(8)28-26/h2*9-18H,1-8H3,(H,28,29,30)
InChIKeyOODAYNNAYRPWQR-UHFFFAOYSA-N
XLogP15.75
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.20
LogP ≤ 515.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6,6'-(Pyridine-2,6-Diyldiethane-2,1-Diyl)bis(4-Methylpyridin-2-Amine)
CID 46892824
6-(2-{6-[2-(2-Amino-6-Methylpyridin-4-Yl)ethyl]pyridin-2-Yl}ethyl)-4-Methylpyridin-2-Amine
CID 46892825
6,6'-{[4-(3-Aminopropyl)benzene-1,3-Diyl]diethane-2,1-Diyl}bis(4-Methylpyridin-2-Amine)
CID 71304801
7-Methyl-3-(3-methylphenyl)isoquinolin-1-amine
CID 24956687
7-Methyl-3-(2-methylphenyl)isoquinolin-1-amine
CID 24956688
6-Methyl-3-(3-methylphenyl)isoquinolin-1-amine
CID 24957048
3-(2,6-Dimethylphenyl)-6-methylisoquinolin-1-amine
CID 24957049
6-[2-[6-[2-(6-Amino-4-methyl-2-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine
CID 46892696
6-[2-[7-[2-(6-Amino-4-methyl-2-pyridinyl)ethyl]naphthalen-2-yl]ethyl]-4-methylpyridin-2-amine
CID 46892697
4-Methyl-6-((4-methyl-2-(1-piperidinyl)-6-quinolinyl)methyl)-2-(1-piperidinyl)quinoline
CID 408515
10-[8-(5-Imino-2,4-dimethylbenzo[b][1,8]naphthyridin-10-yl)octyl]-2,4-dimethylbenzo[b][1,8]naphthyridin-5-imine;hydrochloride
CID 387546
N,N''-(Naphthalene-2,6-diylbis(methylene))bis(4,6-dimethylpyridin-2-amine)
CID 46892695

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]pyridin-2-amine (CID 139207006) is 4,6-dimethyl-N-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]pyridin-2-amine is Cc1cc(C)nc(Nc2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)n2)c1.Cc1cc(C)nc(Nc2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)n2)c1.
What is the InChIKey of 4,6-dimethyl-N-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]pyridin-2-amine?
The InChIKey is OODAYNNAYRPWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H35N3/c2*1-16(2)21-14-22(17(3)4)27(23(15-21)18(5)6)24-10-9-11-25(29-24)30-26-13-19(7)12-20(8)28-26/h2*9-18H,1-8H3,(H,28,29,30).
What are the key properties of 4,6-dimethyl-N-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]pyridin-2-amine?
4,6-dimethyl-N-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]pyridin-2-amine has a molecular weight of 803.20 g/mol, XLogP of 15.75, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 139207006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).