2-(2,3,4-tripyridin-2-ylnaphthalen-1-yl)pyrimidine

C29H19N5 — CID 138982227

IUPAC2-(2,3,4-tripyridin-2-ylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2c(-c3ccccn3)c(-c3ncccn3)c3ccccc3c2-c2ccccn2)nc1
InChIInChI=1S/C29H19N5/c1-2-11-21-20(10-1)25(22-12-3-6-15-30-22)27(23-13-4-7-16-31-23)28(24-14-5-8-17-32-24)26(21)29-33-18-9-19-34-29/h1-19H
InChIKeyPCFYTZITCAOAPS-UHFFFAOYSA-N
MW437.51 g/mol
LogP6.48
Rot. Bonds4

About 2-(2,3,4-tripyridin-2-ylnaphthalen-1-yl)pyrimidine

2-(2,3,4-tripyridin-2-ylnaphthalen-1-yl)pyrimidine (PubChem CID 138982227) has the molecular formula C29H19N5 and a molecular weight of 437.51 g/mol. Its IUPAC name is 2-(2,3,4-tripyridin-2-ylnaphthalen-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(2,3,4-tripyridin-2-ylnaphthalen-1-yl)pyrimidine
PubChem CID138982227
Molecular FormulaC29H19N5
Molecular Weight437.51 g/mol
Exact Mass437.16
IUPAC Name2-(2,3,4-tripyridin-2-ylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2c(-c3ccccn3)c(-c3ncccn3)c3ccccc3c2-c2ccccn2)nc1
InChIInChI=1S/C29H19N5/c1-2-11-21-20(10-1)25(22-12-3-6-15-30-22)27(23-13-4-7-16-31-23)28(24-14-5-8-17-32-24)26(21)29-33-18-9-19-34-29/h1-19H
InChIKeyPCFYTZITCAOAPS-UHFFFAOYSA-N
XLogP6.48
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.51
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Azd-3839
CID 46202416
Tt-301
CID 54576073
(3S)-7-fluoro-3-pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
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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
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3-Phenyl-4-(Pyridin-4-Yl)-6-[4-(Pyrimidin-2-Yl)piperazin-1-Yl]pyridazine
CID 24743826
Aminoisoquinoline, 15
CID 24863584
(1-(4-(Naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methanamine
CID 25199517
Aminoisoquinoline, 14
CID 44473103
(1S)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1H-isoindol-3-amine
CID 46206292
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-tripyridin-2-ylnaphthalen-1-yl)pyrimidine?
The IUPAC name of 2-(2,3,4-tripyridin-2-ylnaphthalen-1-yl)pyrimidine (CID 138982227) is 2-(2,3,4-tripyridin-2-ylnaphthalen-1-yl)pyrimidine.
What is the SMILES notation for 2-(2,3,4-tripyridin-2-ylnaphthalen-1-yl)pyrimidine?
The canonical SMILES for 2-(2,3,4-tripyridin-2-ylnaphthalen-1-yl)pyrimidine is c1ccc(-c2c(-c3ccccn3)c(-c3ncccn3)c3ccccc3c2-c2ccccn2)nc1.
What is the InChIKey of 2-(2,3,4-tripyridin-2-ylnaphthalen-1-yl)pyrimidine?
The InChIKey is PCFYTZITCAOAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N5/c1-2-11-21-20(10-1)25(22-12-3-6-15-30-22)27(23-13-4-7-16-31-23)28(24-14-5-8-17-32-24)26(21)29-33-18-9-19-34-29/h1-19H.
What are the key properties of 2-(2,3,4-tripyridin-2-ylnaphthalen-1-yl)pyrimidine?
2-(2,3,4-tripyridin-2-ylnaphthalen-1-yl)pyrimidine has a molecular weight of 437.51 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-tripyridin-2-ylnaphthalen-1-yl)pyrimidine is sourced from PubChem (CID 138982227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).