6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine

C23H18N6 — CID 19144720

IUPAC6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cccc3ccccc23)ncnc1Nc1cccc2cccnc12
InChIInChI=1S/C23H18N6/c24-20-22(28-18-11-3-7-15-6-1-2-10-17(15)18)26-14-27-23(20)29-19-12-4-8-16-9-5-13-25-21(16)19/h1-14H,24H2,(H2,26,27,28,29)
InChIKeyQMRTYSFTHVPNHG-UHFFFAOYSA-N
MW378.44 g/mol
LogP5.25
Rot. Bonds4

About 6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine

6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine (PubChem CID 19144720) has the molecular formula C23H18N6 and a molecular weight of 378.44 g/mol. Its IUPAC name is 6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
PubChem CID19144720
Molecular FormulaC23H18N6
Molecular Weight378.44 g/mol
Exact Mass378.16
IUPAC Name6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cccc3ccccc23)ncnc1Nc1cccc2cccnc12
InChIInChI=1S/C23H18N6/c24-20-22(28-18-11-3-7-15-6-1-2-10-17(15)18)26-14-27-23(20)29-19-12-4-8-16-9-5-13-25-21(16)19/h1-14H,24H2,(H2,26,27,28,29)
InChIKeyQMRTYSFTHVPNHG-UHFFFAOYSA-N
XLogP5.25
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.44
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19145076
6-hydrazinyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine
CID 19145042
6-N-naphthalen-1-yl-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 22527211
4-N-(3-methyl-2-pyridinyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144579
6-N-(4-bromophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144751
4-N-(2,5-dimethylphenyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 22547024
6-pyrrolidin-1-yl-4-N-quinolin-8-ylpyrimidine-4,5-diamine
CID 19137290
4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19144821
N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]benzohydrazide
CID 19144770
4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144759
4-N-(4-methyl-2-pyridinyl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545164
6-(benzimidazol-1-yl)-4-N-quinolin-8-ylpyrimidine-4,5-diamine
CID 19144853

Frequently Asked Questions

What is the IUPAC name of 6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine (CID 19144720) is 6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine is Nc1c(Nc2cccc3ccccc23)ncnc1Nc1cccc2cccnc12.
What is the InChIKey of 6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine?
The InChIKey is QMRTYSFTHVPNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6/c24-20-22(28-18-11-3-7-15-6-1-2-10-17(15)18)26-14-27-23(20)29-19-12-4-8-16-9-5-13-25-21(16)19/h1-14H,24H2,(H2,26,27,28,29).
What are the key properties of 6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine?
6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine has a molecular weight of 378.44 g/mol, XLogP of 5.25, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19144720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).