2-[2,3,4-tris(4-methyl-2-pyridinyl)naphthalen-1-yl]pyrimidine

C32H25N5 — CID 138982232

IUPAC2-[2,3,4-tris(4-methyl-2-pyridinyl)naphthalen-1-yl]pyrimidine
SMILESCc1ccnc(-c2c(-c3cc(C)ccn3)c(-c3ncccn3)c3ccccc3c2-c2cc(C)ccn2)c1
InChIInChI=1S/C32H25N5/c1-20-9-14-33-25(17-20)28-23-7-4-5-8-24(23)29(32-36-12-6-13-37-32)31(27-19-22(3)11-16-35-27)30(28)26-18-21(2)10-15-34-26/h4-19H,1-3H3
InChIKeyCGJISRYIGVNPLK-UHFFFAOYSA-N
MW479.59 g/mol
LogP7.41
Rot. Bonds4

About 2-[2,3,4-tris(4-methyl-2-pyridinyl)naphthalen-1-yl]pyrimidine

2-[2,3,4-tris(4-methyl-2-pyridinyl)naphthalen-1-yl]pyrimidine (PubChem CID 138982232) has the molecular formula C32H25N5 and a molecular weight of 479.59 g/mol. Its IUPAC name is 2-[2,3,4-tris(4-methyl-2-pyridinyl)naphthalen-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[2,3,4-tris(4-methyl-2-pyridinyl)naphthalen-1-yl]pyrimidine
PubChem CID138982232
Molecular FormulaC32H25N5
Molecular Weight479.59 g/mol
Exact Mass479.21
IUPAC Name2-[2,3,4-tris(4-methyl-2-pyridinyl)naphthalen-1-yl]pyrimidine
SMILESCc1ccnc(-c2c(-c3cc(C)ccn3)c(-c3ncccn3)c3ccccc3c2-c2cc(C)ccn2)c1
InChIInChI=1S/C32H25N5/c1-20-9-14-33-25(17-20)28-23-7-4-5-8-24(23)29(32-36-12-6-13-37-32)31(27-19-22(3)11-16-35-27)30(28)26-18-21(2)10-15-34-26/h4-19H,1-3H3
InChIKeyCGJISRYIGVNPLK-UHFFFAOYSA-N
XLogP7.41
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.59
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Azd-3839
CID 46202416
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
2-m-Tolyl-1,8-naphthyridine
CID 44434718
Aminoisoquinoline, 14
CID 44473103
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
({4-[2-(Methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)[2-(pyridin-3-yl)ethyl]amine
CID 24971389

Frequently Asked Questions

What is the IUPAC name of 2-[2,3,4-tris(4-methyl-2-pyridinyl)naphthalen-1-yl]pyrimidine?
The IUPAC name of 2-[2,3,4-tris(4-methyl-2-pyridinyl)naphthalen-1-yl]pyrimidine (CID 138982232) is 2-[2,3,4-tris(4-methyl-2-pyridinyl)naphthalen-1-yl]pyrimidine.
What is the SMILES notation for 2-[2,3,4-tris(4-methyl-2-pyridinyl)naphthalen-1-yl]pyrimidine?
The canonical SMILES for 2-[2,3,4-tris(4-methyl-2-pyridinyl)naphthalen-1-yl]pyrimidine is Cc1ccnc(-c2c(-c3cc(C)ccn3)c(-c3ncccn3)c3ccccc3c2-c2cc(C)ccn2)c1.
What is the InChIKey of 2-[2,3,4-tris(4-methyl-2-pyridinyl)naphthalen-1-yl]pyrimidine?
The InChIKey is CGJISRYIGVNPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N5/c1-20-9-14-33-25(17-20)28-23-7-4-5-8-24(23)29(32-36-12-6-13-37-32)31(27-19-22(3)11-16-35-27)30(28)26-18-21(2)10-15-34-26/h4-19H,1-3H3.
What are the key properties of 2-[2,3,4-tris(4-methyl-2-pyridinyl)naphthalen-1-yl]pyrimidine?
2-[2,3,4-tris(4-methyl-2-pyridinyl)naphthalen-1-yl]pyrimidine has a molecular weight of 479.59 g/mol, XLogP of 7.41, 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-tris(4-methyl-2-pyridinyl)naphthalen-1-yl]pyrimidine is sourced from PubChem (CID 138982232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).