2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine

C34H36F6N6 — CID 23729224

IUPAC2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine
SMILESCc1cccc2cc(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ncc(N(C)C)cn3)c(N(CC3CC3)CC3CC3)nc12
InChIInChI=1S/C34H36F6N6/c1-21-5-4-6-25-13-26(31(43-30(21)25)45(17-22-7-8-22)18-23-9-10-23)20-46(32-41-15-29(16-42-32)44(2)3)19-24-11-27(33(35,36)37)14-28(12-24)34(38,39)40/h4-6,11-16,22-23H,7-10,17-20H2,1-3H3
InChIKeyMFIZOVVNSJXCIX-UHFFFAOYSA-N
MW642.69 g/mol
LogP8.27
Rot. Bonds11

About 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine

2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine (PubChem CID 23729224) has the molecular formula C34H36F6N6 and a molecular weight of 642.69 g/mol. Its IUPAC name is 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine
PubChem CID23729224
Molecular FormulaC34H36F6N6
Molecular Weight642.69 g/mol
Exact Mass642.29
IUPAC Name2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine
SMILESCc1cccc2cc(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ncc(N(C)C)cn3)c(N(CC3CC3)CC3CC3)nc12
InChIInChI=1S/C34H36F6N6/c1-21-5-4-6-25-13-26(31(43-30(21)25)45(17-22-7-8-22)18-23-9-10-23)20-46(32-41-15-29(16-42-32)44(2)3)19-24-11-27(33(35,36)37)14-28(12-24)34(38,39)40/h4-6,11-16,22-23H,7-10,17-20H2,1-3H3
InChIKeyMFIZOVVNSJXCIX-UHFFFAOYSA-N
XLogP8.27
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.69
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine with MolForge

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Launch Full Analysis

Related Compounds

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Phenethyl-(2-pyridin-2-yl-quinazolin-4-yl)-amine
CID 937982
4-(4-Methylpiperazin-1-yl)-2-pyridin-4-ylquinazoline
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CID 1488106
2-[4-(2-Pyrimidinyl)-1-piperazinyl]quinoline
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CID 16812276
CID 16812276
4-(2-Methylpiperidin-1-yl)-2-pyridin-4-ylquinazoline
CID 659902
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CID 872357

Frequently Asked Questions

What is the IUPAC name of 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine?
The IUPAC name of 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine (CID 23729224) is 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine?
The canonical SMILES for 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine is Cc1cccc2cc(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ncc(N(C)C)cn3)c(N(CC3CC3)CC3CC3)nc12.
What is the InChIKey of 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine?
The InChIKey is MFIZOVVNSJXCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36F6N6/c1-21-5-4-6-25-13-26(31(43-30(21)25)45(17-22-7-8-22)18-23-9-10-23)20-46(32-41-15-29(16-42-32)44(2)3)19-24-11-27(33(35,36)37)14-28(12-24)34(38,39)40/h4-6,11-16,22-23H,7-10,17-20H2,1-3H3.
What are the key properties of 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine?
2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine has a molecular weight of 642.69 g/mol, XLogP of 8.27, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[2-[bis(cyclopropylmethyl)amino]-8-methylquinolin-3-yl]methyl]-2-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-N,5-N-dimethylpyrimidine-2,5-diamine is sourced from PubChem (CID 23729224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).