2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]pyrimidin-4-amine

C30H32N6 — CID 108778926

IUPAC2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]pyrimidin-4-amine
SMILESCc1ccc(Cc2c(C)nc(C)nc2Nc2cc(C)nn2-c2cc(C)c3cc(C)cc(C)c3n2)cc1
InChIInChI=1S/C30H32N6/c1-17-8-10-24(11-9-17)16-26-22(6)31-23(7)32-30(26)34-28-15-21(5)35-36(28)27-14-19(3)25-13-18(2)12-20(4)29(25)33-27/h8-15H,16H2,1-7H3,(H,31,32,34)
InChIKeyCTXNAPSABMOCLQ-UHFFFAOYSA-N
MW476.63 g/mol
LogP6.70
Rot. Bonds5

About 2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]pyrimidin-4-amine

2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]pyrimidin-4-amine (PubChem CID 108778926) has the molecular formula C30H32N6 and a molecular weight of 476.63 g/mol. Its IUPAC name is 2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]pyrimidin-4-amine
PubChem CID108778926
Molecular FormulaC30H32N6
Molecular Weight476.63 g/mol
Exact Mass476.27
IUPAC Name2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]pyrimidin-4-amine
SMILESCc1ccc(Cc2c(C)nc(C)nc2Nc2cc(C)nn2-c2cc(C)c3cc(C)cc(C)c3n2)cc1
InChIInChI=1S/C30H32N6/c1-17-8-10-24(11-9-17)16-26-22(6)31-23(7)32-30(26)34-28-15-21(5)35-36(28)27-14-19(3)25-13-18(2)12-20(4)29(25)33-27/h8-15H,16H2,1-7H3,(H,31,32,34)
InChIKeyCTXNAPSABMOCLQ-UHFFFAOYSA-N
XLogP6.70
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.63
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-1,3-benzothiazol-2-amine
CID 108778922
4-fluoro-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide
CID 108783943
N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 108778919
2-methylpropyl N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]carbamate
CID 108746882
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]acetamide
CID 108806624
4-(5-chloro-2-methoxyphenyl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-4-oxobutanamide
CID 108746925
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]benzamide
CID 108746898
3-methyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-1-benzofuran-2-carboxamide
CID 108805486
1-(4,6-dimethylpyrimidin-2-yl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]piperidine-4-carboxamide
CID 108746908
N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-3-pyrrolidin-1-ylquinoxalin-2-amine
CID 108779379
1-tert-butyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 108769084
N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methylphenyl)pyridazin-3-amine
CID 108779051

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]pyrimidin-4-amine?
The IUPAC name of 2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]pyrimidin-4-amine (CID 108778926) is 2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]pyrimidin-4-amine is Cc1ccc(Cc2c(C)nc(C)nc2Nc2cc(C)nn2-c2cc(C)c3cc(C)cc(C)c3n2)cc1.
What is the InChIKey of 2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]pyrimidin-4-amine?
The InChIKey is CTXNAPSABMOCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6/c1-17-8-10-24(11-9-17)16-26-22(6)31-23(7)32-30(26)34-28-15-21(5)35-36(28)27-14-19(3)25-13-18(2)12-20(4)29(25)33-27/h8-15H,16H2,1-7H3,(H,31,32,34).
What are the key properties of 2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]pyrimidin-4-amine?
2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]pyrimidin-4-amine has a molecular weight of 476.63 g/mol, XLogP of 6.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 108778926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).