2-[3,4-bis(4-methyl-2-pyridinyl)naphthalen-2-yl]pyrimidine

C26H20N4 — CID 138982234

IUPAC2-[3,4-bis(4-methyl-2-pyridinyl)naphthalen-2-yl]pyrimidine
SMILESCc1ccnc(-c2c(-c3ncccn3)cc3ccccc3c2-c2cc(C)ccn2)c1
InChIInChI=1S/C26H20N4/c1-17-8-12-27-22(14-17)24-20-7-4-3-6-19(20)16-21(26-29-10-5-11-30-26)25(24)23-15-18(2)9-13-28-23/h3-16H,1-2H3
InChIKeyHZRNQCHCHLMRFU-UHFFFAOYSA-N
MW388.47 g/mol
LogP6.04
Rot. Bonds3

About 2-[3,4-bis(4-methyl-2-pyridinyl)naphthalen-2-yl]pyrimidine

2-[3,4-bis(4-methyl-2-pyridinyl)naphthalen-2-yl]pyrimidine (PubChem CID 138982234) has the molecular formula C26H20N4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[3,4-bis(4-methyl-2-pyridinyl)naphthalen-2-yl]pyrimidine.

Molecular Properties

Compound Name2-[3,4-bis(4-methyl-2-pyridinyl)naphthalen-2-yl]pyrimidine
PubChem CID138982234
Molecular FormulaC26H20N4
Molecular Weight388.47 g/mol
Exact Mass388.17
IUPAC Name2-[3,4-bis(4-methyl-2-pyridinyl)naphthalen-2-yl]pyrimidine
SMILESCc1ccnc(-c2c(-c3ncccn3)cc3ccccc3c2-c2cc(C)ccn2)c1
InChIInChI=1S/C26H20N4/c1-17-8-12-27-22(14-17)24-20-7-4-3-6-19(20)16-21(26-29-10-5-11-30-26)25(24)23-15-18(2)9-13-28-23/h3-16H,1-2H3
InChIKeyHZRNQCHCHLMRFU-UHFFFAOYSA-N
XLogP6.04
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Azd-3839
CID 46202416
Mw-150
CID 86270361
Sri-9439
CID 446752
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562
N-(4-methylphenyl)-4-quinolin-4-ylpyrimidin-2-amine
CID 44820374
4-(4-Phenylphenyl)pyrimidine
CID 817541
(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-(2,6-Dimethylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
CID 5328116
2-N-[3-(diethylamino)propyl]-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
CID 5328118
6-Methyl-N5-(3-(pyrimidin-4-yl)pyridin-2-yl)-N1-(3-(trifluoromethyl)phenyl)isoquinoline-1,5-diamine
CID 16214904

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(4-methyl-2-pyridinyl)naphthalen-2-yl]pyrimidine?
The IUPAC name of 2-[3,4-bis(4-methyl-2-pyridinyl)naphthalen-2-yl]pyrimidine (CID 138982234) is 2-[3,4-bis(4-methyl-2-pyridinyl)naphthalen-2-yl]pyrimidine.
What is the SMILES notation for 2-[3,4-bis(4-methyl-2-pyridinyl)naphthalen-2-yl]pyrimidine?
The canonical SMILES for 2-[3,4-bis(4-methyl-2-pyridinyl)naphthalen-2-yl]pyrimidine is Cc1ccnc(-c2c(-c3ncccn3)cc3ccccc3c2-c2cc(C)ccn2)c1.
What is the InChIKey of 2-[3,4-bis(4-methyl-2-pyridinyl)naphthalen-2-yl]pyrimidine?
The InChIKey is HZRNQCHCHLMRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4/c1-17-8-12-27-22(14-17)24-20-7-4-3-6-19(20)16-21(26-29-10-5-11-30-26)25(24)23-15-18(2)9-13-28-23/h3-16H,1-2H3.
What are the key properties of 2-[3,4-bis(4-methyl-2-pyridinyl)naphthalen-2-yl]pyrimidine?
2-[3,4-bis(4-methyl-2-pyridinyl)naphthalen-2-yl]pyrimidine has a molecular weight of 388.47 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(4-methyl-2-pyridinyl)naphthalen-2-yl]pyrimidine is sourced from PubChem (CID 138982234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).