4-naphthalen-2-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine

C36H24N4 — CID 58322587

IUPAC4-naphthalen-2-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5ccccn5)cc4)n3)cc2)nc1
InChIInChI=1S/C36H24N4/c1-2-8-30-23-31(20-11-25(30)7-1)35-24-34(28-14-12-26(13-15-28)32-9-3-5-21-37-32)39-36(40-35)29-18-16-27(17-19-29)33-10-4-6-22-38-33/h1-24H
InChIKeyOQENNIAIWKOBOW-UHFFFAOYSA-N
MW512.62 g/mol
LogP8.75
Rot. Bonds5

About 4-naphthalen-2-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine

4-naphthalen-2-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine (PubChem CID 58322587) has the molecular formula C36H24N4 and a molecular weight of 512.62 g/mol. Its IUPAC name is 4-naphthalen-2-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-naphthalen-2-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine
PubChem CID58322587
Molecular FormulaC36H24N4
Molecular Weight512.62 g/mol
Exact Mass512.20
IUPAC Name4-naphthalen-2-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5ccccn5)cc4)n3)cc2)nc1
InChIInChI=1S/C36H24N4/c1-2-8-30-23-31(20-11-25(30)7-1)35-24-34(28-14-12-26(13-15-28)32-9-3-5-21-37-32)39-36(40-35)29-18-16-27(17-19-29)33-10-4-6-22-38-33/h1-24H
InChIKeyOQENNIAIWKOBOW-UHFFFAOYSA-N
XLogP8.75
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.62
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Azd-3839
CID 46202416
(3S)-7-fluoro-3-pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
CID 46205968
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
6-Methyl-N5-(3-(pyrimidin-4-yl)pyridin-2-yl)-N1-(3-(trifluoromethyl)phenyl)isoquinoline-1,5-diamine
CID 16214904
Aminoisoquinoline, 15
CID 24863584
(1-(4-(Naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methanamine
CID 25199517
(1S)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1H-isoindol-3-amine
CID 46206292
JNJ525 TFA salt
CID 124222736
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-4-yl)pyrimidin-4-amine
CID 4193543
N-(6-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}hexyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644778
N-(7-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}heptyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644779
N-(8-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}octyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644780

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine?
The IUPAC name of 4-naphthalen-2-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine (CID 58322587) is 4-naphthalen-2-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine.
What is the SMILES notation for 4-naphthalen-2-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine?
The canonical SMILES for 4-naphthalen-2-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5ccccn5)cc4)n3)cc2)nc1.
What is the InChIKey of 4-naphthalen-2-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine?
The InChIKey is OQENNIAIWKOBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N4/c1-2-8-30-23-31(20-11-25(30)7-1)35-24-34(28-14-12-26(13-15-28)32-9-3-5-21-37-32)39-36(40-35)29-18-16-27(17-19-29)33-10-4-6-22-38-33/h1-24H.
What are the key properties of 4-naphthalen-2-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine?
4-naphthalen-2-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine has a molecular weight of 512.62 g/mol, XLogP of 8.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-2,6-bis(4-pyridin-2-ylphenyl)pyrimidine is sourced from PubChem (CID 58322587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).